MiMeDB: Showing metabocard for Ferulic acid (MMDBc0000174)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:38:35 UTC

Update Date

2024-10-09 22:30:56 UTC

Metabolite ID

MMDBc0000174

Metabolite Identification

Common Name

Ferulic acid

Description

Ferulic acid is a highly abundant phenolic phytochemical which is present in plant cell walls. Ferulic acid is a phenolic acid that can be absorbed by the small intestine and excreted through the urine. It is one of the most abundant phenolic acids in plants, varying from 5 g/kg in wheat bran to 9 g/kg in sugar-beet pulp and 50 g/kg in corn kernel. It occurs primarily in seeds and leaves both in its free form (albeit rarely) and covalently linked to lignin and other biopolymers. It is usually found as ester cross-links with polysaccharides in the cell wall, such as arabinoxylans in grasses, pectin in spinach and sugar beet, and xyloglucans in bamboo. It also can cross-link with proteins. Due to its phenolic nucleus and an extended side chain conjugation (carbohydrates and proteins), it readily forms a resonance-stabilized phenoxy radical which accounts for its potent antioxidant potential. Food supplementation with curcumin and ferulic acid is considered a nutritional approach to reducing oxidative damage and amyloid pathology in Alzheimer disease (PMID: 17127365 , 1398220 , 15453708 , 9878519 ). Ferulic acid can be found in Pseudomonas and Saccharomyces (PMID: 8395165 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309272007352D          

 14 14  0  0  0  0            999 V2000
10000.732310000.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4470 9999.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.161810000.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8766 9999.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.161810001.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.878910000.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1633 9999.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8789 9998.7640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.021210000.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.306710000.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.592210000.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5922 9999.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3066 9998.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0212 9999.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000174

> <DATABASE_NAME>
MIME

> <SMILES>
COC1=C(O)C=CC(\C=C\C(O)=O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

> <INCHI_KEY>
KSEBMYQBYZTDHS-HWKANZROSA-N

> <FORMULA>
C10H10O4

> <MOLECULAR_WEIGHT>
194.184

> <EXACT_MASS>
194.057908808

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
19.180103670792548

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

> <ALOGPS_LOGP>
1.58

> <JCHEM_LOGP>
1.6748496726666668

> <ALOGPS_LOGS>
-2.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.982312921511172

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7673485922827705

> <JCHEM_PKA_STRONGEST_BASIC>
-4.89396153310966

> <JCHEM_POLAR_SURFACE_AREA>
66.75999999999999

> <JCHEM_REFRACTIVITY>
51.504000000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.06e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ferulic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8668.0348667.436   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8669.3688666.666   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8670.7028667.436   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8672.0368666.666   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8670.7028668.974   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8662.7078667.436   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8661.3718666.665   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8662.7078664.359   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0    8666.7068666.668   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8665.3738667.438   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8664.0398666.668   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8664.0398665.128   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8665.3728664.358   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8666.7068665.128   0.000  0.00  0.00           C+0
CONECT    1    2    9                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    7   11                                                       
CONECT    7    6                                                            
CONECT    8   12                                                            
CONECT    9   10   14    1                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12    6                                                  
CONECT   12   11   13    8                                                  
CONECT   13   12   14                                                       
CONECT   14   13    9                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END

Synonyms

Value	Source
(e)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid	ChEBI
(e)-4'-Hydroxy-3'-methoxycinnamic acid	ChEBI
(e)-4-Hydroxy-3-methoxycinnamic acid	ChEBI
(e)-Ferulic acid	ChEBI
3-(4-Hydroxy-3-methoxyphenyl)propenoic acid	ChEBI
3-Methoxy-4-hydroxy-trans-cinnamic acid	ChEBI
4-Hydroxy-3-methoxycinnamic acid	ChEBI
trans-4-Hydroxy-3-methoxycinnamic acid	ChEBI
3-Methoxy-4-hydroxy-trans-cinnamate	Kegg
4-Hydroxy-3-methoxycinnamate	Kegg
(e)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate	Generator
(e)-4'-Hydroxy-3'-methoxycinnamate	Generator
(e)-4-Hydroxy-3-methoxycinnamate	Generator
(e)-Ferulate	Generator
3-(4-Hydroxy-3-methoxyphenyl)propenoate	Generator
trans-4-Hydroxy-3-methoxycinnamate	Generator
trans-Ferulate	Generator
Ferulate	Generator
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate	HMDB
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid	HMDB
(e)-4-Hydroxy-3-methoxy-cinnamate	HMDB
(e)-4-Hydroxy-3-methoxy-cinnamic acid	HMDB
Ferulic acid, (e)-isomer	MeSH, HMDB
Ferulic acid, monosodium salt	MeSH, HMDB
Sodium ferulate	MeSH, HMDB
Ferulic acid, (Z)-isomer	MeSH, HMDB
8,8'-Diferulic acid	MeSH, HMDB
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-acrylic acid	HMDB
(2E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid	HMDB
(E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acid	HMDB
Fumalic acid	HMDB
3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid	HMDB
3-Methoxy-4-hydroxycinnamic acid	HMDB
4'-Hydroxy-3'-methoxycinnamic acid	HMDB
Coniferic acid	HMDB
Ferulaic acid	HMDB
4’-Hydroxy-3’-methoxycinnamic acid	PhytoBank

Molecular Formula

C₁₀H₁₀O₄

Average Mass

194.184

Monoisotopic Mass

194.057908808

IUPAC Name

(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

Traditional Name

ferulic acid

CAS Registry Number

537-98-4

SMILES

COC1=C(O)C=CC(\C=C\C(O)=O)=C1

InChI Identifier

InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

InChI Key

KSEBMYQBYZTDHS-HWKANZROSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Hydroxycinnamic acids

Alternative Parents

Substituents

Cinnamic acid
Coumaric acid or derivatives
Hydroxycinnamic acid
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Styrene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Ether
Organic oxygen compound
Carbonyl group
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

ferulic acids (CHEBI:17620 )
Coniferyl alcohol derivatives (C01494 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.91 g/L	ALOGPS
logP	1.58	ALOGPS
logP	1.67	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	3.77	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	51.5 m³·mol⁻¹	ChemAxon
Polarizability	19.18 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)	splash10-05g4-1978000000-1097d5b300514a0489df	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)	splash10-00kv-2964000000-3d20d62c97c33247cfcf	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-00ku-1965000000-ebee2a916fe97f0270a1	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)	splash10-00di-9654000000-b3f1759076cffd2ac235	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (2 TMS)	splash10-000m-3975000000-5a41c311d78f7219474c	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0006-1900000000-5dffac87fe7c815de4ce	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0006-2900000000-8db541bacfe47b9e0c8b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0006-2900000000-a338415bd30d4e62e664	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-05g4-1978000000-1097d5b300514a0489df	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00kv-2964000000-3d20d62c97c33247cfcf	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00ku-1965000000-ebee2a916fe97f0270a1	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9654000000-b3f1759076cffd2ac235	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-000m-3975000000-5a41c311d78f7219474c	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00kv-1954000000-9dae07505bd18466be87	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-002e-0900000000-d76b7991f2d90cb58bd5	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00di-6094000000-b805979df23a0d890d7c	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-004i-0900000000-d193da7a6efffdab2dbb	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-00kr-7900000000-b5b8d28b28c8067c3932	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-002r-9000000000-d3616a5367a7a2a9b3c6	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - EI-B (HITACHI M-52) , Positive	splash10-0006-1900000000-5dffac87fe7c815de4ce	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-0006-0900000000-c173873ef0d975be6c34	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-001i-0900000000-0b9174ecaba08b2f01b9	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-001i-1900000000-eff77e27aef254928643	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-001r-9700000000-18946fad05ffb1f78a7d	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-001r-9300000000-e2221a73d3d078bf6e03	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0002-0900000000-653c9a454414dd8b8b50	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, Positive	splash10-002b-0900000000-62b2ee8bf9571be3d97f	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-001i-0900000000-a7cded21e6010eb8bce2	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0006-0900000000-c173873ef0d975be6c34	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-001i-0900000000-0b9174ecaba08b2f01b9	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-001i-1900000000-eff77e27aef254928643	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-001r-9700000000-18946fad05ffb1f78a7d	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-001r-9300000000-e2221a73d3d078bf6e03	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-001i-0900000000-a7cded21e6010eb8bce2	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-002b-0900000000-cdced9ddbcdaedf2f1b9	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-002b-0900000000-434fdd914ca34cd68f41	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-0900000000-0dcbcad8bf6cb403f4f8	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0g31-5900000000-4fa9ed831b4e0d1573e5	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0900000000-29c8691e15490f8d88ac	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0900000000-e940f09e099b7acf3772	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00o1-1900000000-ee61087a069406e459c7	2016-09-12	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0006-5900000000-8c81de6c352294475072	2015-03-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental)		2015-03-01	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25.16 MHz, DMSO-d6, experimental)		2015-03-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, DMSO, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, DMSO, experimental)		2016-10-22	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Epidermis
Feces
Fibroblasts
Urine

Tissue Locations

Epidermis
Fibroblasts

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192140	UDP-glucuronosyltransferase 1-1	Enzyme	P22309	Homo sapiens
MMDBp0197061	Sulfotransferase 1A3	Enzyme	P0DMM9	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Multistep Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source
MMDBr0012797	Ferulic acid	Vanillic acid	Not Available
MMDBr0012833	Ferulic acid	5-Hydroxyferulic acid	Not Available	KEGG
MMDBr0012834	5-Hydroxyferulic acid	Sinapic acid	Not Available	KEGG

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Eosinophilic esophagitis	Slight Increase	Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Glucose uptake	increases	Cell culture	3T3-L1 adipocytes	PubMed	28230764
Glucose uptake	increases	Cell culture	Rat L6 myotubes	PubMed	28230764
Free radical scavenger		Chemical reaction		Pubchem	28415050

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Spirochaetes	1		Microbial culture
Bacteria	Verrucomicrobia	1	Human feces; Human stool; Human ; Human urine	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Proteobacteria	4	Human feces; Human stool; Human	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Firmicutes	5	Human stool; Human ; Human feces; Human urine; Human sputum; Human saliva; Human subgingival plaque; Human vaginal fluid; Human supragingival plaque	Indirect association between microbiota composition and metabolites measured in host biospecimen
Archaea	Euryarchaeota	1	Human feces; Human	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	nah	1
Eukaryota/Fungi	Ascomycota	4	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Myoxocephalus	FooDB	31437929
Animal		Eucheuma	FooDB	31437929
Animal		Saccharina japonica	FooDB	31437929
Animal		Spirulina	FooDB	31437929
Animal		Lota lota	FooDB	31437929
Animal		Porphyra umbilicalis	FooDB	31437929
Animal		Chondrus crispus	FooDB	31437929
Animal		Laminaria	FooDB	31437929
Animal		Haliotis	FooDB	31437929
Animal		Strombidae	FooDB	31437929
Animal		Clupea harengus harengus	FooDB	31437929
Animal		Undaria pinnatifida	FooDB	31437929
Animal		Peprilus triacanthus	FooDB	31437929
Animal		Rhodophyta	FooDB	31437929
Food			FooDB	31437929
Food	Sake	Rice	KNApSAcK	31437929
Food	Soy milk	Soy	FooDB	31437929
Food	Tofu	Soy	FooDB	31437929
Food	Beer	Barley	FooDB	31437929
Food	White wine	Wine grape	FooDB	31437929
Food			FooDB	31437929
Plant		Sorbus aucuparia	FooDB	31437929
Plant		Satureja hortensis	FooDB	31437929
Plant		Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant		Brassica oleracea var. costata	FooDB	31437929
Plant		Phyllostachys edulis	FooDB	31437929
Plant		Panax	FooDB	31437929
Plant		Citrullus lanatus	FooDB	31437929
Plant		Averrhoa carambola	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Carum carvi	FooDB	31437929
Plant		Allium schoenoprasum	FooDB	31437929
Plant		Prunus armeniaca	FooDB	31437929
Plant		Nelumbo nucifera	FooDB	31437929
Plant		Citrus reticulata	FooDB	31437929
Plant		Vigna umbellata	FooDB	31437929
Plant		Cymbopogon citratus	FooDB	31437929
Plant		Rubus occidentalis	FooDB	31437929
Plant		Bertholletia excelsa	FooDB	31437929
Plant		Ceratonia siliqua	FooDB	31437929
Plant		Allium fistulosum	FooDB	31437929
Plant		Capsicum	FooDB	31437929
Plant		Luffa aegyptiaca	FooDB	31437929
Plant		Brassica rapa var. rapa	FooDB	31437929
Plant		Lupinus	FooDB	31437929
Plant		Tilia cordata	FooDB	31437929
Plant		Anethum graveolens	FooDB	31437929
Plant		Coriandrum sativum	FooDB	31437929
Plant		Vaccinium alaskaense	FooDB	31437929
Plant		Durio zibethinus	FooDB	31437929
Plant		Carthamus tinctorius	FooDB	31437929
Plant		Ribes glandulosum	FooDB	31437929
Plant		Cicer arietinum	FooDB	31437929
Plant	Leaves	Brassica oleracea var. italica	FooDB	31437929
Plant		Prunus persica var. nucipersica	FooDB	31437929
Plant		Verbena officinalis	FooDB	31437929
Plant		Anacardium occidentale	FooDB	31437929
Plant		Olea europaea	FooDB	31437929
Plant		Vaccinium oxycoccos	FooDB	31437929
Plant		Oenothera biennis	FooDB	31437929
Plant		Brassica napus var. pabularia	FooDB	31437929
Plant		Eriobotrya japonica	FooDB	31437929
Plant		Diospyros kaki	FooDB	31437929
Plant		Aloysia triphylla	FooDB	31437929
Plant		Vaccinium parvifolium	FooDB	31437929
Plant		Virola surinamensis	FooDB	31437929
Plant		Capsicum chinense	FooDB	31437929
Plant		Fragaria x ananassa	FooDB	31437929
Plant		Rumex acetosa	FooDB	31437929
Plant		Rubus	FooDB	31437929
Plant		Pyrus pyrifolia	FooDB	31437929
Plant		Vaccinium reticulatum	FooDB	31437929
Plant		Theobroma cacao	FooDB	31437929
Plant	Seed	Sesamum orientale	FooDB	31437929
Plant		Solanum quitoense	FooDB	31437929
Plant		Brassica oleracea var. capitata	FooDB	31437929
Plant		Theobroma grandiflorum	FooDB	31437929
Plant		Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant		Satureja montana	FooDB	31437929
Plant		Vaccinium arboreum	FooDB	31437929
Plant		Perideridia oregana	FooDB	31437929
Plant		Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant		Ginkgo biloba	FooDB	31437929
Plant			FooDB	31437929
Plant		Vaccinium myrtillus	FooDB	31437929
Plant		Solanum lycopersicum	FooDB	31437929
Plant		Camellia sinensis	FooDB	31437929
Plant		Wasabia japonica	FooDB	31437929
Plant		Origanum onites	FooDB	31437929
Plant		Flammulina velutipes	FooDB	31437929
Plant		Syzygium aromaticum	FooDB	31437929
Plant		Citrus japonica	FooDB	31437929
Plant		Phaseolus vulgaris	FooDB	31437929
Plant		Pouteria sapota	FooDB	31437929
Plant		Daucus carota ssp. sativus	FooDB	31437929
Plant		Vicia faba	FooDB	31437929
Plant		Prunus avium	FooDB	31437929
Plant		Viburnum edule	FooDB	31437929
Plant		Vaccinium uliginosum	FooDB	31437929
Plant		Piper nigrum	FooDB	31437929
Plant		Morus nigra	FooDB	31437929
Plant		Dioscorea	FooDB	31437929
Plant		Origanum vulgare	FooDB	31437929
Plant		Raphanus sativus var. sativus	FooDB	31437929
Plant		Momordica charantia	FooDB	31437929
Plant		Rubus ursinus x idaeus	FooDB	31437929
Plant		Vitis vinifera	FooDB	31437929
Plant		Prunus persica var. persica	FooDB	31437929
Plant		Castanea	FooDB	31437929
Plant		Capsicum annuum	FooDB	31437929
Plant		Cirsium	FooDB	31437929
Plant		Opuntia	FooDB	31437929
Plant		Pleurotus ostreatus	FooDB	31437929
Plant		Colocasia esculenta	FooDB	31437929
Plant		Anthriscus cerefolium	FooDB	31437929
Plant	Seed	Linum usitatissimum	FooDB	31437929
Plant		Raphanus sativus var. niger	FooDB	31437929
Plant		Dysphania ambrosioides	FooDB	31437929
Plant		Nuphar lutea	FooDB	31437929
Plant		Photinia melanocarpa	FooDB	31437929
Plant		Pachyrhizus erosus	FooDB	31437929
Plant		Lupinus albus	FooDB	31437929
Plant		Solanum melongena	FooDB	31437929
Plant		Cichorium endivia	FooDB	31437929
Plant		Rubus idaeus	FooDB	31437929
Plant		Myristica fragrans	FooDB	31437929
Plant		Elaeis	FooDB	31437929
Plant		Cinnamomum	FooDB	31437929
Plant		Feijoa sellowiana	FooDB	31437929
Plant		Ribes uva-crispa	FooDB	31437929
Plant		Syzygium jambos	FooDB	31437929
Plant		Salix pulchra	FooDB	31437929
Plant		Crocus sativus	FooDB	31437929
Plant		Vaccinium	FooDB	31437929
Plant		Fagus	FooDB	31437929
Plant		Citrus maxima	FooDB	31437929
Plant		Lablab purpureus	FooDB	31437929
Plant		Rheum rhabarbarum	FooDB	31437929
Plant		Vaccinium ovatum	FooDB	31437929
Plant		Thymus pulegioides	FooDB	31437929
Plant		Castanea sativa	FooDB	31437929
Plant		Cydonia oblonga	FooDB	31437929
Plant		Mespilus germanica	FooDB	31437929
Plant		Apium graveolens	FooDB	31437929
Plant		Opuntia cochenillifera	FooDB	31437929
Plant		Salvia officinalis	FooDB	31437929
Plant		Brassica rapa var. perviridis	FooDB	31437929
Plant		Annona muricata	FooDB	31437929
Plant		Phaseolus coccineus	FooDB	31437929
Plant		Cucurbita	FooDB	31437929
Plant		Salvia elegans	FooDB	31437929
Plant		Mentha	FooDB	31437929
Plant		Mentha aquatica	FooDB	31437929
Plant		Cocos nucifera	FooDB	31437929
Plant		Tamarindus indica	FooDB	31437929
Plant		Sagittaria latifolia	FooDB	31437929
Plant		Citrus x paradisi	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Syzygium cumini	FooDB	31437929
Plant		Empetrum nigrum	FooDB	31437929
Plant		Sambucus	FooDB	31437929
Plant		Typha angustifolia	FooDB	31437929
Plant		Myrica rubra	FooDB	31437929
Plant		Spinacia oleracea	FooDB	31437929
Plant		Tilia tomentosa	FooDB	31437929
Plant		Valerianella locusta	FooDB	31437929
Plant		Pinus	FooDB	31437929
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant		Sisymbrium	FooDB	31437929
Plant		Olea europaea	FooDB	31437929
Plant		Psidium guajava	FooDB	31437929
Plant		Vanilla	FooDB	31437929
Plant		Carya	FooDB	31437929
Plant		Vaccinium vitis-idaea	FooDB	31437929
Plant		Borago officinalis	FooDB	31437929
Plant		Angelica keiskei	FooDB	31437929
Plant		Vaccinium macrocarpon	FooDB	31437929
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant		Physalis philadelphica var. immaculata	FooDB	31437929
Plant		Hyssopus officinalis	FooDB	31437929
Plant		Scorzonera hispanica	FooDB	31437929
Plant		Manihot esculenta	FooDB	31437929
Plant		Daucus carota	FooDB	31437929
Plant		Solanum tuberosum	FooDB	31437929
Plant		Ipomoea aquatica	FooDB	31437929
Plant		Rubus spectabilis	FooDB	31437929
Plant		Raphanus sativus	FooDB	31437929
Plant		Foeniculum vulgare	FooDB	31437929
Plant		Beta vulgaris ssp. cicla	FooDB	31437929
Plant		Prunus dulcis	FooDB	31437929
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant		Vigna radiata	FooDB	31437929
Plant		Cuminum cyminum	FooDB	31437929
Plant		Allium sativum	FooDB	31437929
Plant		Cantharellus cibarius	FooDB	31437929
Plant		Musa x paradisiaca	FooDB	31437929
Plant		Sinapis alba	FooDB	31437929
Plant		Brassica ruvo	FooDB	31437929
Plant		Rosmarinus officinalis	FooDB	31437929
Plant		Fragaria x ananassa	FooDB	31437929
Plant		Morus nigra	FooDB	31437929
Plant		Phoenix dactylifera	FooDB	31437929
Plant		Pinus edulis	FooDB	31437929
Plant		Apium graveolens var. secalinum	FooDB	31437929
Plant		Juglans regia	FooDB	31437929
Plant		Opuntia macrorhiza	FooDB	31437929
Plant		Arachis hypogaea	FooDB	31437929
Plant		Rubus idaeus	FooDB	31437929
Plant		Pyrus communis	FooDB	31437929
Plant		Manilkara zapota	FooDB	31437929
Plant		Allium cepa	FooDB	31437929
Plant		Passiflora edulis	FooDB	31437929
Plant		Abelmoschus esculentus	FooDB	31437929
Plant		Moringa oleifera	FooDB	31437929
Plant		Solanum lycopersicum	FooDB	31437929
Plant		Vigna angularis	FooDB	31437929
Plant		Malus	FooDB	31437929
Plant		Barley	FooDB	31437929
Plant		Cucurbita pepo var. clypeata	FooDB	31437929
Plant		Corylus	FooDB	31437929
Plant		Juglans	FooDB	31437929
Plant		Illicium verum	FooDB	31437929
Plant		Wheat	FooDB	31437929
Plant			FooDB	31437929
Plant	Bean	Coffea arabica	FooDB	31437929
Plant		Auricularia auricula-judae	FooDB	31437929
Plant		Mangifera indica	FooDB	31437929
Plant		Blackberry	FooDB	31437929
Plant		Juglans ailanthifolia	FooDB	31437929
Plant		Chamaemelum nobile	FooDB	31437929
Plant		Corn	FooDB	31437929
Plant		Sambucus nigra	FooDB	31437929
Plant		Mentha spicata	FooDB	31437929
Plant		Helianthus annuus	FooDB	31437929
Plant		Attalea speciosa	FooDB	31437929
Plant		Hippophae rhamnoides	FooDB	31437929
Plant		Polygonum alpinum	FooDB	31437929
Plant		Melissa officinalis	FooDB	31437929
Plant		Laurus nobilis	FooDB	31437929
Plant		Pediomelum esculentum	FooDB	31437929
Plant		Artemisia dracunculus	FooDB	31437929
Plant		Auricularia polytricha	FooDB	31437929
Plant		Petroselinum crispum	FooDB	31437929
Plant		Ribes nigrum	FooDB	31437929
Plant		Zingiber officinale	FooDB	31437929
Plant		Brassica juncea	FooDB	31437929
Plant		Pisum sativum	FooDB	31437929
Plant		Camellia oleifera	FooDB	31437929
Plant		Chrysanthemum coronarium	FooDB	31437929
Plant		Eleocharis dulcis	FooDB	31437929
Plant		Rubus arcticus	FooDB	31437929
Plant		Vaccinium corymbosum	FooDB	31437929
Plant		Actinidia chinensis	FooDB	31437929
Plant		Thymus vulgaris	FooDB	31437929
Plant		Rumex articus	FooDB	31437929
Plant		Pimenta dioica	FooDB	31437929
Plant		Spinacia oleracea	FooDB	31437929
Plant		Ribes aureum var. villosum	FooDB	31437929
Plant		Medicago sativa	FooDB	31437929
Plant		Canarium ovatum	FooDB	31437929
Plant		Agaricus bisporus	FooDB	31437929
Plant		Carica papaya	FooDB	31437929
Plant		Cajanus cajan	FooDB	31437929
Plant		Benincasa hispida	FooDB	31437929
Plant		Hibiscus sabdariffa	FooDB	31437929
Plant		Vigna mungo	FooDB	31437929
Plant		Origanum majorana	FooDB	31437929
Plant		Armoracia rusticana	FooDB	31437929
Plant		Eruca vesicaria ssp. sativa	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Juglans cinerea	FooDB	31437929
Plant		Metroxylon sagu	FooDB	31437929
Plant		Vitis rotundifolia	FooDB	31437929
Plant		Arctium lappa	FooDB	31437929
Plant		Brassica oleracea var. gongylodes	FooDB	31437929
Plant		Prunus persica	FooDB	31437929
Plant		Brassica oleracea var. gemmifera	FooDB	31437929
Plant		Foeniculum vulgare	FooDB	31437929
Plant		Artocarpus altilis	FooDB	31437929
Plant		Psidium cattleianum	FooDB	31437929
Plant		Cyathea	FooDB	31437929
Plant		Vaccinium macrocarpon	FooDB	31437929
Plant		Brosimum alicastrum	FooDB	31437929
Plant		Phoenix dactylifera	FooDB	31437929
Plant		Castanea mollissima	FooDB	31437929
Plant		Vigna unguiculata	FooDB	31437929
Plant		Cynara scolymus	FooDB	31437929
Plant		Morus	FooDB	31437929
Plant		Vitis labrusca	FooDB	31437929
Plant		Lentinus edodes	FooDB	31437929
Plant		Citrus x paradisi	FooDB	31437929
Plant		Rosmarinus officinalis	FooDB	31437929
Plant		Prunus cerasus	FooDB	31437929
Plant		Myrica	FooDB	31437929
Plant		Lepidium sativum	FooDB	31437929
Plant		Cucumis metuliferus	FooDB	31437929
Plant		Phytolacca americana	FooDB	31437929
Plant		Nephelium lappaceum	FooDB	31437929
Plant		Artemisia vulgaris	FooDB	31437929
Plant		Tetragonia tetragonioides	FooDB	31437929
Plant		Helianthus tuberosus	FooDB	31437929
Plant		Grifola frondosa	FooDB	31437929
Plant		Castanea crenata	FooDB	31437929
Plant		Ficus carica	FooDB	31437929
Plant		Vaccinium angustifolium	FooDB	31437929
Plant			FooDB	31437929
Plant		Citrus sinensis	FooDB	31437929
Plant		Quercus	FooDB	31437929
Plant		Beta vulgaris var. rubra	FooDB	31437929
Plant		Corylus avellana	FooDB	31437929
Plant		Litchi chinensis	FooDB	31437929
Plant		Thelesperma	FooDB	31437929
Plant	Root	Daucus carota ssp. sativus	FooDB	31437929
Plant		Malpighia emarginata	FooDB	31437929
Plant		Physalis	FooDB	31437929
Plant		Juglans regia	FooDB	31437929
Plant		Vaccinium elliottii	FooDB	31437929
Plant		Chamerion angustifolium	FooDB	31437929
Plant		Trigonella foenum-graecum	FooDB	31437929
Plant		Levisticum officinale	FooDB	31437929
Plant		Brassica oleracea var. sabauda	FooDB	31437929
Plant		Ziziphus zizyphus	FooDB	31437929
Plant		Dimocarpus longan	FooDB	31437929
Plant		Asparagus officinalis	FooDB	31437929
Plant		Brassica napus	FooDB	31437929
Plant		Pangium edule	FooDB	31437929
Plant		Cynara cardunculus	FooDB	31437929
Plant		Matricaria recutita	FooDB	31437929
Plant		Salvia hispanica	FooDB	31437929
Plant		Artemisia dracunculus	FooDB	31437929
Plant		Citrus aurantiifolia	FooDB	31437929
Plant		Hedysarum alpinum	FooDB	31437929
Plant		Brassica oleracea var. viridis	FooDB	31437929
Plant		Agave	FooDB	31437929
Plant		Vigna aconitifolia	FooDB	31437929
Plant		Pimpinella anisum	FooDB	31437929
Plant		Vitellaria paradoxa	FooDB	31437929
Plant		Allium	FooDB	31437929
Plant			FooDB	31437929
Plant		Lactuca sativa	FooDB	31437929
Plant		Eragrostis tef	FooDB	31437929
Plant		Diospyros	FooDB	31437929
Plant		Apium graveolens var. dulce	FooDB	31437929
Plant		Mammea americana	FooDB	31437929
Plant		Pistacia vera	FooDB	31437929
Plant		Amaranthus	FooDB	31437929
Plant		Annona squamosa	FooDB	31437929
Plant		Brassica alboglabra	FooDB	31437929
Plant		Beta vulgaris	FooDB	31437929
Plant		Capsicum baccatum var. baccatum	FooDB	31437929
Plant		Basella alba	FooDB	31437929
Plant		Gossypium	FooDB	31437929
Plant		Punica granatum	FooDB	31437929
Plant		Xanthosoma sagittifolium	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Capsicum pubescens	FooDB	31437929
Plant		Citrus latifolia	FooDB	31437929
Plant		Vaccinium oxycoccos	FooDB	31437929
Plant		Crateva religiosa	FooDB	31437929
Plant		Byrsonima crassifolia	FooDB	31437929
Plant		Vitis aestivalis	FooDB	31437929
Plant		Eugenia javanica	FooDB	31437929
Plant		Mentha arvensis	FooDB	31437929
Plant		Carya illinoinensis	FooDB	31437929
Plant		Vaccinium stamineum	FooDB	31437929
Plant		Malus pumila	FooDB	31437929
Plant			FooDB	31437929
Plant		Cucumis sativus	FooDB	31437929
Plant		Brassica rapa var. chinensis	FooDB	31437929
Plant		Grataegosorbus mitschurinii	FooDB	31437929
Plant		Psophocarpus tetragonolobus	FooDB	31437929
Plant		Portulaca oleracea	FooDB	31437929
Plant		Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant		Cinnamomum aromaticum	FooDB	31437929
Plant		Ribes rubrum	FooDB	31437929
Plant		Ipomoea batatas	FooDB	31437929
Plant		Allium ampeloprasum	FooDB	31437929
Plant		Chenopodium album	FooDB	31437929
Plant			FooDB	31437929
Plant		Phaseolus vulgaris	FooDB	31437929
Plant		Diospyros virginiana	FooDB	31437929
Plant		Cucurbita maxima	FooDB	31437929
Plant		Origanum x majoricum	FooDB	31437929
Plant		Pastinaca sativa	FooDB	31437929
Plant		Sechium edule	FooDB	31437929
Plant		Brassica oleracea	FooDB	31437929
Plant		Rumex	FooDB	31437929
Plant		Tragopogon porrifolius	FooDB	31437929
Plant		Lactuca sativa l. var. longifolia	FooDB	31437929
Plant		Rubus chamaemorus	FooDB	31437929
Plant		Rubus x loganobaccus	FooDB	31437929
Plant		Allium ascalonicum	FooDB	31437929
Plant		Eugenia uniflora	FooDB	31437929
Plant		Citrullus lanatus var. fistulosus	FooDB	31437929
Plant		Amelanchier alnifolia	FooDB	31437929
Plant		Annona reticulata	FooDB	31437929
Plant		Sesbania bispinosa	FooDB	31437929
Plant		Ribes x nidigrolaria	FooDB	31437929
Plant		Curcuma longa	FooDB	31437929
Plant		Taraxacum officinale	FooDB	31437929
Plant		Elettaria cardamomum	FooDB	31437929
Plant		Garcinia mangostana	FooDB	31437929
Plant		Allium tuberosum	FooDB	31437929
Plant		Dioscorea pentaphylla	FooDB	31437929
Plant		Persea americana	FooDB	31437929
Plant		Lathyrus sativus	FooDB	31437929
Plant		Corchorus olitorius	FooDB	31437929
Plant		Brassica oleracea var. botrytis	FooDB	31437929
Plant		Gaylussacia baccata	FooDB	31437929
Plant		Cichorium intybus	FooDB	31437929
Plant		Petasites japonicus	FooDB	31437929
Plant		Chenopodium quinoa	FooDB	31437929
Plant		Ananas comosus	FooDB	31437929
Plant		Prunus tomentosa	FooDB	31437929
Plant		Maranta arundinacea	FooDB	31437929
Plant		Cucumis melo	FooDB	31437929
Plant		Juglans nigra	FooDB	31437929
Plant		Matteuccia struthiopteris	FooDB	31437929
Plant		Theobroma cacao	FooDB	31437929
Plant		Vaccinium myrtilloides	FooDB	31437929
Plant		Tilia	FooDB	31437929
Plant		Mentha x piperita	FooDB	31437929
Plant		Cinnamomum verum	FooDB	31437929
Plant		Cucurbita moschata	FooDB	31437929
Plant		Nelumbo	FooDB	31437929
Plant		Brassica oleracea var. conica	FooDB	31437929
Plant		Macadamia	FooDB	31437929
Plant		Vaccinium myrtillus	FooDB	31437929
Plant		Rosa	FooDB	31437929
Plant		Apium graveolens var. rapaceum	FooDB	31437929
Plant		Papaver	FooDB	31437929
Plant		Lippia graveolens	FooDB	31437929
Plant		Ocimum basilicum	FooDB	31437929
Plant		Capsicum annuum var. annuum	FooDB	31437929
Plant		Citrus limon	FooDB	31437929
Plant		Brassica rapa var. pekinensis	FooDB	31437929
Plant		Brassica oleracea var. italica	FooDB	31437929
Plant		Annona cherimola	FooDB	31437929
Plant		Brassica rapa	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Vaccinium deliciosum	FooDB	31437929
Plant		Capparis spinosa	FooDB	31437929
Plant		Glycine max	FooDB	31437929
Plant		Artocarpus heterophyllus	FooDB	31437929
Plant		Prunus virginiana	FooDB	31437929
Plant		Solanum melongena	FooDB	31437929
Plant		Macadamia tetraphylla	FooDB	31437929
Plant		Lens culinaris	FooDB	31437929
Plant		Phaseolus lunatus	FooDB	31437929
Plant		Citrus sinensis	FooDB	31437929
Plant		Musa acuminata	FooDB	31437929
Plant		Carissa macrocarpa	FooDB	31437929
Plant		Lagenaria siceraria	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Blood	Detected and Quantified	0.039	0.02			uM	Adult (>18 years old)	Both	Normal	HMDB	11308321
Human Urine	Detected and Quantified	36.3	11.2			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	12663291
Human Feces	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	18502705
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	19573517
Human Blood	Detected and Quantified	0.031	0.008			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.157	0.129			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.13	0.054			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.031	0.011			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.027	0.005			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.029	0.004			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.052	0.02			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.053	0.017			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified			0	1.581	uM	Adult (>18 years old)	Both	Normal	HMDB	19812218
Human Urine	Detected and Quantified	0.481	0.188			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	0.245	0.061			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	0.364	0.108			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Hypertension (mild)	HMDB	20013882
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Hypertension (mild)	HMDB	20013882
Human Urine	Detected and Quantified	0.5				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	21388201
Human Feces	Detected and Quantified	8.549	0.978			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	13.853	11.072			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	11.793	6.952			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	13.801	11.844			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Urine	Detected and Quantified	1				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	1.2				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Colorectal cancer	HMDB	25037050
Human Feces	Detected but not Quantified						Not Specified	Both	Normal	HMDB	25486321
Human Urine	Detected and Quantified			0.376	9.27	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	26814424
Human Urine	Detected and Quantified			0.8	1.3	umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	27012787
Human Urine	Detected and Quantified			0.78	0.98	umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	27012787
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Colorectal cancer	HMDB	27015276
Human Urine	Detected and Quantified	2.814				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	27273479
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Colorectal Cancer	HMDB	27275383
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected and Quantified	0.34		0.00515	5.021	nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	28029051
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Bladder cancer	HMDB	28157703
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Urine	Detected and Quantified	22.261				umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Gastroesophageal reflux disease	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	10.181	5.131			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	5.626	2.711			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	3.557	2.039			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	4.18	3.519			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	0.5				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	21388201
Human Urine	Detected and Quantified	1				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	1.2				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	2.814				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	27273479
Human Blood	Detected and Quantified			0	1.581	uM	Adult (>18 years old)	Both	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.027	0.005			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.029	0.004			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.031	0.008			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.031	0.011			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.039	0.020			uM	Adult (>18 years old)	Both	Normal	HMDB	11308321
Human Blood	Detected and Quantified	0.052	0.02			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.053	0.017			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.13	0.054			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Blood	Detected and Quantified	0.157	0.129			uM	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified	0.245	0.061			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Feces	Detected and Quantified	0.340		0.00515	5.0210	nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	28029051
Human Urine	Detected and Quantified	0.364	0.108			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified			0.376	9.270	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	26814424
Human Urine	Detected and Quantified	0.481	0.188			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	19812218
Human Urine	Detected and Quantified			0.78	0.98	umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	27012787
Human Urine	Detected and Quantified			0.80	1.3	umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	27012787
Human Feces	Detected and Quantified	11.793	6.952			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	13.801	11.844			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Feces	Detected and Quantified	13.853	11.0720			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Urine	Detected and Quantified	36.3	11.2			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	12663291
Human Feces	Detected and Quantified	8.549	0.978			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	24010549
Human Urine	Detected and Quantified	10.181	5.131			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	4.18	3.519			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	3.557	2.039			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	5.626	2.711			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Epidermis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	19573517
Human Feces	Detected but not Quantified						Not Specified	Both	Normal	HMDB	25486321
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	18502705
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000954

DrugBank ID

DB07767

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Ferulic_Acid

METLIN ID

4156

PubChem Compound

445858

PDB ID

Not Available

ChEBI ID

17620

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Graf E: Antioxidant potential of ferulic acid. Free Radic Biol Med. 1992 Oct;13(4):435-48. doi: 10.1016/0891-5849(92)90184-i. [PubMed:1398220 ]
Schindler AE, Siiteri PK: Isolation and quantitation of steroids from normal human amniotic fluid. J Clin Endocrinol Metab. 1968 Aug;28(8):1189-98. doi: 10.1210/jcem-28-8-1189. [PubMed:4234060 ]
Huang Z, Dostal L, Rosazza JP: Microbial transformations of ferulic acid by Saccharomyces cerevisiae and Pseudomonas fluorescens. Appl Environ Microbiol. 1993 Jul;59(7):2244-50. doi: 10.1128/aem.59.7.2244-2250.1993. [PubMed:8395165 ]
Bourne LC, Rice-Evans C: Bioavailability of ferulic acid. Biochem Biophys Res Commun. 1998 Dec 18;253(2):222-7. doi: 10.1006/bbrc.1998.9681. [PubMed:9878519 ]
Choudhary G, Chakel J, Hancock W, Torres-Duarte A, McMahon G, Wainer I: Investigation of the potential of capillary electrophoresis with off-line matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for clinical analysis: examination of a glycoprotein factor associated with cancer cachexia. Anal Chem. 1999 Feb 15;71(4):855-9. doi: 10.1021/ac980633k. [PubMed:10051848 ]
Nakazawa T, Ohsawa K: Metabolites of orally administered Perilla frutescens extract in rats and humans. Biol Pharm Bull. 2000 Jan;23(1):122-7. doi: 10.1248/bpb.23.122. [PubMed:10706426 ]
Tringali C, Spatafora C, Longo OD: Bioactive constituents of the bark of Parkia biglobosa. Fitoterapia. 2000 Apr;71(2):118-25. doi: 10.1016/s0367-326x(99)00137-9. [PubMed:10727806 ]
Saija A, Tomaino A, Trombetta D, De Pasquale A, Uccella N, Barbuzzi T, Paolino D, Bonina F: In vitro and in vivo evaluation of caffeic and ferulic acids as topical photoprotective agents. Int J Pharm. 2000 Apr 10;199(1):39-47. doi: 10.1016/s0378-5173(00)00358-6. [PubMed:10794925 ]
Homma K, Hasegawa T, Masumoto M, Takeshita E, Watanabe K, Chiba H, Kurosawa T, Takahashi T, Matsuo N: Reference values for urinary steroids in Japanese newborn infants: gas chromatography/mass spectrometry in selected ion monitoring. Endocr J. 2003 Dec;50(6):783-92. doi: 10.1507/endocrj.50.783. [PubMed:14709852 ]
Trombino S, Serini S, Di Nicuolo F, Celleno L, Ando S, Picci N, Calviello G, Palozza P: Antioxidant effect of ferulic acid in isolated membranes and intact cells: synergistic interactions with alpha-tocopherol, beta-carotene, and ascorbic acid. J Agric Food Chem. 2004 Apr 21;52(8):2411-20. doi: 10.1021/jf0303924. [PubMed:15080655 ]
Harder H, Tetens I, Let MB, Meyer AS: Rye bran bread intake elevates urinary excretion of ferulic acid in humans, but does not affect the susceptibility of LDL to oxidation ex vivo. Eur J Nutr. 2004 Aug;43(4):230-6. doi: 10.1007/s00394-004-0463-5. Epub 2004 Jan 6. [PubMed:15309442 ]
Baba S, Osakabe N, Natsume M, Yasuda A, Muto Y, Hiyoshi K, Takano H, Yoshikawa T, Terao J: Absorption, metabolism, degradation and urinary excretion of rosmarinic acid after intake of Perilla frutescens extract in humans. Eur J Nutr. 2005 Feb;44(1):1-9. doi: 10.1007/s00394-004-0482-2. Epub 2004 Feb 18. [PubMed:15309457 ]
Kang J, Liu Y, Xie MX, Li S, Jiang M, Wang YD: Interactions of human serum albumin with chlorogenic acid and ferulic acid. Biochim Biophys Acta. 2004 Sep 24;1674(2):205-14. doi: 10.1016/j.bbagen.2004.06.021. [PubMed:15374625 ]
Fukuoka K, Sawabe A, Sugimoto T, Koga M, Okuda H, Kitayama T, Shirai M, Komai K, Komemushi S, Matsuda K: Inhibitory actions of several natural products on proliferation of rat vascular smooth muscle cells induced by Hsp60 from Chlamydia pneumoniae J138. J Agric Food Chem. 2004 Oct 6;52(20):6326-9. doi: 10.1021/jf0351164. [PubMed:15453708 ]
Tapia A, Rodriguez J, Theoduloz C, Lopez S, Feresin GE, Schmeda-Hirschmann G: Free radical scavengers and antioxidants from Baccharis grisebachii. J Ethnopharmacol. 2004 Dec;95(2-3):155-61. doi: 10.1016/j.jep.2004.06.035. [PubMed:15507329 ]
Mancuso C, Scapagini G, Curro D, Giuffrida Stella AM, De Marco C, Butterfield DA, Calabrese V: Mitochondrial dysfunction, free radical generation and cellular stress response in neurodegenerative disorders. Front Biosci. 2007 Jan 1;12:1107-23. doi: 10.2741/2130. [PubMed:17127365 ]

Showing metabocard for Ferulic acid (MMDBc0000174)

MOL for #<Metabolite:0x00007f46e283e6b0>

3D MOL for #<Metabolite:0x00007f46e283e6b0>

3D SDF for #<Metabolite:0x00007f46e283e6b0>

3D-SDF for #<Metabolite:0x00007f46e283e6b0>

PDB for #<Metabolite:0x00007f46e283e6b0>

3D PDB for #<Metabolite:0x00007f46e283e6b0>

SMILES for #<Metabolite:0x00007f46e283e6b0>

INCHI for #<Metabolite:0x00007f46e283e6b0>

Structure for #<Metabolite:0x00007f46e283e6b0>

3D Structure for #<Metabolite:0x00007f46e283e6b0>