MiMeDB: Showing metabocard for D-Mannose (MMDBc0000055)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:28:45 UTC

Update Date

2024-04-30 19:30:57 UTC

Metabolite ID

MMDBc0000055

Metabolite Identification

Common Name

D-Mannose

Description

D-Mannose (CAS: 3458-28-4) is a carbohydrate. High-mannose-type oligosaccharides have been shown to play important roles in protein quality control. Several intracellular proteins such as lectins, chaperones, and glycan-processing enzymes, are involved in this process. These include calnexin/calreticulin, UDP-glucose:glycoprotein glucosyltransferase (UGGT), cargo receptors (such as VIP36 and ERGIC-53), mannosidase-like proteins (e.g. EDEM and Htm1p) and ubiquitin ligase (Fbs). They are thought to recognize high-mannose-type glycans with subtly different structures. Mannose-binding lectin (MBL) is an important constituent of the innate immune system. This protein binds through multiple lectin domains to the repeating sugar arrays that decorate many microbial surfaces and is then able to activate the complement system through a specific protease called MBL-associated protease-2. The primary pathway for the formation of L-fucose in procaryotic and eucaryotic cells is from D-mannose via an internal oxidation-reduction and then epimerization of GDP-D-mannose to produce GDP-L-fucose (PMID: 9488699 , 16154739 , 11414367 ).

Structure

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

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  C   UNK     0       0.667  -0.770   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.667  -2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.667   0.000   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -2.000  -0.770   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.001   1.540   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.334   2.310   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       3.334  -0.770   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.667   2.310   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.001   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.000   2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -3.334   1.540   0.000  0.00  0.00           O+0
CONECT    1    3   10    2                                                  
CONECT    2    1                                                            
CONECT    3    5    1    4                                                  
CONECT    4    3                                                            
CONECT    5    3    9   11                                                  
CONECT    6    9   10    7                                                  
CONECT    7    6                                                            
CONECT    8   10                                                            
CONECT    9    5    6                                                       
CONECT   10    1    6    8                                                  
CONECT   11    5   12                                                       
CONECT   12   11                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END

Synonyms

Value	Source
alpha-D-Man	ChEBI
a-D-Man	Generator
α-D-Man	Generator
a-D-Mannose	Generator
α-D-Mannose	Generator
alpha-D-Mannopyranose	ChEBI
a-D-Mannopyranose	Generator
α-D-Mannopyranose	Generator
(+)-Mannose	HMDB
Carubinose	HMDB
D(+)-Mannose	HMDB
Mannose	HMDB
Seminose	HMDB
alpha-D-Mannose	HMDB
alpha-Mannose	HMDB
α-Mannose	HMDB

Molecular Formula

C₆H₁₂O₆

Average Mass

180.1559

Monoisotopic Mass

180.063388116

IUPAC Name

(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Traditional Name

α-D-mannose

CAS Registry Number

3458-28-4

SMILES

OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1

InChI Key

WQZGKKKJIJFFOK-PQMKYFCFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose monosaccharide
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-mannopyranose (CHEBI:28729 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	782 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-2.9	ChemAxon
logS	0.64	ALOGPS
pKa (Strongest Acidic)	11.3	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	110.38 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	35.92 m³·mol⁻¹	ChemAxon
Polarizability	16.13 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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) (5 TMS)	splash10-0mi2-0931000000-96f0cf3c2d4a8bea25b9	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)	splash10-00kb-1931000000-ec423f92582012821c6a	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)	splash10-0fr2-1920000000-b6be17dc79a948dfe5fa	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS; 1 MEOX)	splash10-00di-9831000000-409527d22fb759cb628f	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS; 1 MEOX)	splash10-00di-9621000000-34b421fd962840bfbaec	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (1 MEOX; 5 TMS)	splash10-066r-1942000000-1c8164b54d2d16c782c3	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (1 MEOX; 5 TMS)	splash10-0ldi-1942000000-c68a088eba727f3a4ada	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0mi2-0931000000-96f0cf3c2d4a8bea25b9	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00kb-1931000000-ec423f92582012821c6a	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0fr2-1920000000-b6be17dc79a948dfe5fa	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9831000000-409527d22fb759cb628f	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9621000000-34b421fd962840bfbaec	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-066r-1942000000-1c8164b54d2d16c782c3	2020-03-26	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0ldi-1942000000-c68a088eba727f3a4ada	2020-03-26	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0np0-9700000000-e8d638dc817e46b97d7b	2016-09-22	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	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-01pc-6900000000-0ef33e32ee16b7803f1b	2020-03-26	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-00kr-9000000000-27e169c1df0c3ee59806	2020-03-26	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , positive	splash10-03ea-0900000000-9fb0e8db39598c7a269b	2020-03-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01q9-0900000000-b0bc47623e7b2ca31c02	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03ea-3900000000-648e1637af29cf2a3518	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0007-9200000000-9e6f46a1cbf52d6e347a	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-2900000000-a4ec4f0b1e29e360a952	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-01t9-6900000000-7b3ea9c64ecc8d4ac867	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-052f-9100000000-ec2bf4918640a0a36398	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-2900000000-2448926b508622464fe7	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-056r-8900000000-4c073cb93b78120113e6	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4l-9000000000-ece70093ab5d3c331ac4	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01qa-0900000000-04ceb34d441ff6a75763	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03dl-9400000000-a8f1ceab155611f949c1	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-01ow-9000000000-358f68fc2b7a72c27546	2021-09-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2020-03-26	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)		2020-03-26	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 22.53 MHz, D₂O, experimental)		2020-03-26	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2020-03-26	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Endoplasmic reticulum
Extracellular
Golgi apparatus
Lysosome

Biospecimen Locations

Adrenal Medulla
Bladder
Blood
Breast Milk
Cerebrospinal Fluid (CSF)
Epidermis
Feces
Fibroblasts
Intestine
Kidney
Neuron
Pancreas
Placenta
Prostate
Saliva
Skeletal Muscle
Spleen
Testis
Urine

Tissue Locations

Adrenal Medulla
Bladder
Epidermis
Fibroblasts
Intestine
Kidney
Neuron
Pancreas
Placenta
Prostate
Skeletal Muscle
Spleen
Testis

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191735	Phospholipase A2	Unknown	P04054	Homo sapiens
MMDBp0191771	Prostatic acid phosphatase	Enzyme	P15309	Homo sapiens
MMDBp0191880	Glucokinase	Enzyme	P35557	Homo sapiens
MMDBp0191882	Hexokinase-3	Enzyme	P52790	Homo sapiens
MMDBp0191883	Hexokinase-2	Enzyme	P52789	Homo sapiens
MMDBp0191885	Hexokinase-1	Enzyme	P19367	Homo sapiens
MMDBp0192033	Lactase-phlorizin hydrolase	Enzyme	P09848	Homo sapiens
MMDBp0192116	Deoxyribonuclease-1	Unknown	P24855	Homo sapiens
MMDBp0192154	Liver carboxylesterase 1	Enzyme	P23141	Homo sapiens
MMDBp0192174	Cholinesterase	Enzyme	P06276	Homo sapiens
MMDBp0192361	Alpha-galactosidase A	Enzyme	P06280	Homo sapiens
MMDBp0192459	Beta-glucuronidase	Enzyme	P08236	Homo sapiens
MMDBp0192485	Alpha-mannosidase 2	Unknown	Q16706	Homo sapiens
MMDBp0192486	Mannosyl-oligosaccharide 1,2-alpha-mannosidase IB	Unknown	O60476	Homo sapiens
MMDBp0192487	Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase	Unknown	Q9UKM7	Homo sapiens
MMDBp0192488	Mannosyl-oligosaccharide 1,2-alpha-mannosidase IA	Unknown	P33908	Homo sapiens
MMDBp0192546	Nitric oxide synthase, brain	Unknown	P29475	Homo sapiens
MMDBp0192588	Prostaglandin G/H synthase 1	Unknown	P23219	Homo sapiens
MMDBp0192620	Polypeptide N-acetylgalactosaminyltransferase 1	Unknown	Q10472	Homo sapiens
MMDBp0192786	Insulin-like growth factor 1 receptor	Enzyme	P08069	Homo sapiens
MMDBp0193151	Lysozyme C	Enzyme	P61626	Homo sapiens
MMDBp0193155	Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase	Enzyme	Q92685	Homo sapiens
MMDBp0193185	Dipeptidyl peptidase 4	Enzyme	P27487	Homo sapiens
MMDBp0193205	Cytokine receptor common subunit beta	Enzyme	P32927	Homo sapiens
MMDBp0193219	Heparin cofactor 2	Enzyme	P05546	Homo sapiens
MMDBp0193222	Beta-2-glycoprotein 1	Enzyme	P02749	Homo sapiens
MMDBp0193226	Antithrombin-III	Enzyme	P01008	Homo sapiens
MMDBp0193237	Cation-independent mannose-6-phosphate receptor	Enzyme	P11717	Homo sapiens
MMDBp0193363	Glycophorin-B	Enzyme	P06028	Homo sapiens
MMDBp0193375	Zinc-alpha-2-glycoprotein	Enzyme	P25311	Homo sapiens
MMDBp0193376	Lactotransferrin	Unknown	P02788	Homo sapiens
MMDBp0193404	Low-density lipoprotein receptor	Enzyme	P01130	Homo sapiens
MMDBp0193418	Rhodopsin	Enzyme	P08100	Homo sapiens
MMDBp0193433	Alpha-amylase 2B	Unknown	P19961	Homo sapiens
MMDBp0193487	Cathepsin D	Enzyme	P07339	Homo sapiens
MMDBp0193537	Galectin-1	Enzyme	P09382	Homo sapiens
MMDBp0193586	Sialic acid-binding Ig-like lectin 7	Enzyme	Q9Y286	Homo sapiens
MMDBp0193626	Mannose-binding protein C	Unknown	P11226	Homo sapiens
MMDBp0193651	Granzyme B	Enzyme	P10144	Homo sapiens
MMDBp0193671	CD209 antigen	Unknown	Q9NNX6	Homo sapiens
MMDBp0193694	Interferon beta precursor	Enzyme	P01574	Homo sapiens
MMDBp0194005	Mannosyl-oligosaccharide 1,2-alpha-mannosidase IC	Unknown	Q9NR34	Homo sapiens
MMDBp0194252	Complement C1r subcomponent	Unknown	P00736	Homo sapiens
MMDBp0194949	Atrial natriuretic peptide receptor 3	Unknown	P17342	Homo sapiens
MMDBp0196047	N-acetylglucosamine-1-phosphotransferase subunits alpha/beta	Enzyme	Q3T906	Homo sapiens
MMDBp0196159	Carboxypeptidase D	Enzyme	O75976	Homo sapiens
MMDBp0196842	Putative hexokinase HKDC1	Unknown	Q2TB90
MMDBp0196867	Alpha-mannosidase 2x	Unknown	P49641
MMDBp0196868	Lysosomal alpha-mannosidase	Unknown	O00754
MMDBp0196869	Epididymis-specific alpha-mannosidase	Unknown	Q9Y2E5

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000138	(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine	D-Mannose	mannosidase, alpha, class 2C, member 1	VMH	30371894
MMDBr0000139	(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine	D-Mannose	mannosidase, alpha, class 2B, member 1	VMH	8910458
MMDBr0000365	Beta-1,4-mannose-N-acetylglucosamine	N-Acetyl-D-glucosamine	mannosidase, beta A, lysosomal	VMH	9384606
MMDBr0001429	D-Mannose	Mannose 6-phosphate	Not Available	VMH; KEGG	30371894
MMDBr0002519	Inosine triphosphate	IDP	hexokinase 1	VMH; KEGG	30371894
MMDBr0002520	Deoxyadenosine triphosphate	Mannose 6-phosphate	hexokinase 1	VMH; KEGG	30371894
MMDBr0004277	D-Mannose	1-(1,2,3,4,5-Pentahydroxypent-1-Yl)-1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylate	Not Available	VMH	10493906

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Eosinophilic esophagitis		Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota	Apicomplexa	1		Microbial culture
Bacteria	Proteobacteria	291	Human ; Human feces; Human stool; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Human supragingival plaque; Human subgingival plaque	Microbial culture; Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Firmicutes	635	Human ; Human feces; Human urine; Human mucosa; Human subgingival plaque; Human unknown; Human vaginal fluid; Human supragingival plaque; Human sputum; Human saliva; Human stool; Pig ; Cattle	Microbial culture; Metabolic reconstruction; Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Bacteroidetes	214	Human saliva; Human stool; Human feces; Human urine; Human ; Human subgingival plaque; Human appendix biopsy; Human gastric fluid; Human vaginal fluid; Human supragingival plaque; Human mucosa; Human sputum	Microbial culture; Metabolic reconstruction
Eukaryota	Apicomplexa	1		Microbial culture
Bacteria	Tenericutes	7	Human feces	Microbial culture; Metabolic reconstruction
Bacteria	Spirochaetes	3	Human feces	Microbial culture; Metabolic reconstruction
Archaea	Crenarchaeota	3	Human feces	Microbial culture; Metabolic reconstruction
Bacteria	Deinococcus-thermus	3		Microbial culture
Bacteria	Actinobacteria	205	Human ; Human feces; Human stool; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Microbial culture; Metabolic reconstruction
Bacteria	Fusobacteria	19	Human ; Human supragingival plaque; Human subgingival plaque; Human saliva; bal; Human saliva; Human feces	Microbial culture; Metabolic reconstruction
Bacteria	Ignavibacteriae	1	Human	Microbial culture
Eukaryota/Fungi	Ascomycota	7	Human feces; Human saliva; Human supragingival plaque	Microbial culture; Unknown
Bacteria	Chloroflexi	1		Microbial culture
Eukaryota	Parabasalia	1		Microbial culture
Archaea	Euryarchaeota	1	Human feces; Human	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Candidatus melainabacteria	2	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Feces	Detected and Quantified	1010.236	542.863			nmol/g wet feces	Not Specified	Not Specified	Normal	HMDB	20669995
Human Urine	Detected and Quantified	11.65	15.42			umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	2026685
Human Cerebrospinal fluid (csf)	Detected and Quantified	24	13			uM	Adult (>18 years old)	Both	Normal	HMDB	18502700
Human Breast milk	Detected and Quantified	66.4	2.3			uM	Adult (>18 years old)	Female	Normal	HMDB	16456418
Human Urine	Detected and Quantified	23.466	26.455			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	2.357	0.311			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	1.25		0.0	2.5	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	2.5		0.0	12.6	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	39.0	7.0			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Cerebrospinal fluid (csf)	Detected and Quantified	64.0		56.0	72.0	uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	64.0	12.0			uM	Adult (>18 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Adrenal medulla	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Bladder	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
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 Intestine	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Pancreas	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Spleen	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Testis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	20669995
Human Feces	Detected but not Quantified						Infant (0-1 year old)	Both	Normal	HMDB	22411374
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	Normal	HMDB	29808030

External Links

HMDB ID

HMDB0000169

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Mannose

METLIN ID

Not Available

PubChem Compound

185698

PDB ID

Not Available

ChEBI ID

28729

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

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Showing metabocard for D-Mannose (MMDBc0000055)

MOL for #<Metabolite:0x00007fecf31f8de8>

3D MOL for #<Metabolite:0x00007fecf31f8de8>

3D SDF for #<Metabolite:0x00007fecf31f8de8>

3D-SDF for #<Metabolite:0x00007fecf31f8de8>

PDB for #<Metabolite:0x00007fecf31f8de8>

3D PDB for #<Metabolite:0x00007fecf31f8de8>

SMILES for #<Metabolite:0x00007fecf31f8de8>

INCHI for #<Metabolite:0x00007fecf31f8de8>

Structure for #<Metabolite:0x00007fecf31f8de8>

3D Structure for #<Metabolite:0x00007fecf31f8de8>