MiMeDB: Showing metabocard for UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-α-D-glucosamine (MMDBc0032881)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 22:55:58 UTC

Update Date

2022-08-31 21:45:01 UTC

Metabolite ID

MMDBc0032881

Metabolite Identification

Common Name

UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-α-D-glucosamine

Description

UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-alpha-D-glucosamine is an intermediate in lipid IVA biosynthesis pathway in E.coli. It is a substrate for the enzymes UDP-3-O-acyl-N-acetylglucosamine deacetylase which catalyzes the reaction UDP-3-O-[(3R)-3-hydr

Structure

MOL SDF PDB SMILES InChI


  Mrv1533005261511422D          

 65 67  0  0  0  0            999 V2000
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M  CHG  2  36  -1  38  -1
M  END


  Mrv1533005261511422D          

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M  CHG  2  36  -1  38  -1
M  END
> <DATABASE_ID>
MMDBc0032881

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](O)(CCCCCCCCCCC)CC(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=CC([O-])=NC3=O)[C@]([H])(O)[C@]2([H])O)[C@]1([H])N=C(C)[O-]

> <INCHI_IDENTIFIER>
InChI=1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/p-2/t19-,20-,21-,24-,25-,26-,27-,28-,29-,30-/m1/s1

> <INCHI_KEY>
TZSJGZGYQDNRRX-MPLCHSTDSA-L

> <FORMULA>
C31H51N3O19P2

> <MOLECULAR_WEIGHT>
831.7

> <EXACT_MASS>
831.26029759

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
106

> <JCHEM_AVERAGE_POLARIZABILITY>
79.25978881315473

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2R,3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]ethanecarboximidate

> <ALOGPS_LOGP>
1.15

> <JCHEM_LOGP>
0.703567164333333

> <ALOGPS_LOGS>
-2.18

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.175931900478704

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7345710055467292

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6573575088071033

> <JCHEM_POLAR_SURFACE_AREA>
339.3500000000001

> <JCHEM_REFRACTIVITY>
205.40600000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
24

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.74e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2R,3R,4R,5S,6R)-2-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]ethanecarboximidate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-15         0                                  
HETATM    1  C   UNK     0     -20.286  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.387  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -18.952   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -17.619  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -16.285   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -14.951  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -13.618   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -12.284  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -10.950   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -9.616  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -8.283   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.949  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.849   0.441   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.317   0.280   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.282  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.053   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.389   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.387  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.615   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.053   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.722  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      18.754  -0.805   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.948   0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.053  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.883  -2.301   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.281   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.390  -2.622   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.281   0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      14.160  -1.288   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.387   0.000   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.596  -2.373   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0       1.053  -2.310   0.000  0.00  0.00           N+0
HETATM   33  N   UNK     0      18.128  -2.212   0.000  0.00  0.00           N+0
HETATM   34  N   UNK     0      15.691  -1.127   0.000  0.00  0.00           N+0
HETATM   35  O   UNK     0       2.387   4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       3.720  -2.310   0.000  0.00  0.00           O-1
HETATM   37  O   UNK     0      -5.615   1.540   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      20.286  -0.644   0.000  0.00  0.00           O-1
HETATM   39  O   UNK     0      -2.948   1.540   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      10.739  -3.332   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -1.614   2.310   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      14.016  -4.028   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      15.970  -3.780   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       6.951  -1.334   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       8.491   1.334   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0       5.824  -1.334   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0       4.284   1.334   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0       9.055  -0.770   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0      13.129  -0.144   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0       2.387   1.540   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      -1.614  -0.770   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0       3.720  -0.770   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0       6.388   0.770   0.000  0.00  0.00           O+0
HETATM   54  P   UNK     0       7.721   0.000   0.000  0.00  0.00           P+0
HETATM   55  P   UNK     0       5.054   0.000   0.000  0.00  0.00           P+0
HETATM   56  H   UNK     0      -5.615  -1.540   0.000  0.00  0.00           H+0
HETATM   57  H   UNK     0      -0.281   3.080   0.000  0.00  0.00           H+0
HETATM   58  H   UNK     0      10.431  -1.609   0.000  0.00  0.00           H+0
HETATM   59  H   UNK     0      -0.281  -1.540   0.000  0.00  0.00           H+0
HETATM   60  H   UNK     0      12.282  -3.789   0.000  0.00  0.00           H+0
HETATM   61  H   UNK     0      -1.614   0.770   0.000  0.00  0.00           H+0
HETATM   62  H   UNK     0      14.928  -2.702   0.000  0.00  0.00           H+0
HETATM   63  H   UNK     0       1.053   0.770   0.000  0.00  0.00           H+0
HETATM   64  H   UNK     0      14.711   0.150   0.000  0.00  0.00           H+0
HETATM   65  H   UNK     0       2.387  -1.540   0.000  0.00  0.00           H+0
CONECT    1    3                                                            
CONECT    2   18                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   19                                                       
CONECT   13   14   22                                                       
CONECT   14   13   34                                                       
CONECT   15   19   23                                                       
CONECT   16   20   35                                                       
CONECT   17   21   48                                                       
CONECT   18    2   32   36                                                  
CONECT   19   12   15   37   56                                             
CONECT   20   16   26   50   57                                             
CONECT   21   17   25   49   58                                             
CONECT   22   13   33   38                                                  
CONECT   23   15   39   51                                                  
CONECT   24   28   30   32   59                                             
CONECT   25   21   27   40   60                                             
CONECT   26   20   28   41   61                                             
CONECT   27   25   29   42   62                                             
CONECT   28   24   26   51   63                                             
CONECT   29   27   34   49   64                                             
CONECT   30   24   50   52   65                                             
CONECT   31   33   34   43                                                  
CONECT   32   18   24                                                       
CONECT   33   22   31                                                       
CONECT   34   14   29   31                                                  
CONECT   35   16                                                            
CONECT   36   18                                                            
CONECT   37   19                                                            
CONECT   38   22                                                            
CONECT   39   23                                                            
CONECT   40   25                                                            
CONECT   41   26                                                            
CONECT   42   27                                                            
CONECT   43   31                                                            
CONECT   44   54                                                            
CONECT   45   54                                                            
CONECT   46   55                                                            
CONECT   47   55                                                            
CONECT   48   17   54                                                       
CONECT   49   21   29                                                       
CONECT   50   20   30                                                       
CONECT   51   23   28                                                       
CONECT   52   30   55                                                       
CONECT   53   54   55                                                       
CONECT   54   44   45   48   53                                             
CONECT   55   46   47   52   53                                             
CONECT   56   19                                                            
CONECT   57   20                                                            
CONECT   58   21                                                            
CONECT   59   24                                                            
CONECT   60   25                                                            
CONECT   61   26                                                            
CONECT   62   27                                                            
CONECT   63   28                                                            
CONECT   64   29                                                            
CONECT   65   30                                                            
MASTER        0    0    0    0    0    0    0    0   65    0  134    0
END

Synonyms

Value	Source
UDP-3-O-(3-Hydroxymyristoyl)-N-acetylglucosamine	ChEBI
UDP-3-O-(3-Hydroxytetradecanoyl)-N-acetylglucosamine	ChEBI
UDP-3-O-[(3R)-3-Hydroxymyristoyl]-N-acetylglucosamine	ChEBI
UDP-3-O-[(3R)-3-Hydroxytetradecanoyl]-N-acetyl-alpha-D-glucosamine	ChEBI
UDP-3-O-[(3R)-3-Hydroxytetradecanoyl]-N-acetylglucosamine dianion	ChEBI
UDP-3-O-[(3R)-3-Hydroxytetradecanoyl]-N-acetyl-a-D-glucosamine	Generator
UDP-3-O-[(3R)-3-Hydroxytetradecanoyl]-N-acetyl-α-D-glucosamine	Generator
UDP-3-HMAGlc	MeSH

Molecular Formula

C₃₁H₅₁N₃O₁₉P₂

Average Mass

831.7

Monoisotopic Mass

831.26029759

IUPAC Name

N-[(2R,3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]ethanecarboximidate

Traditional Name

N-[(2R,3R,4R,5S,6R)-2-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]ethanecarboximidate

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(CCCCCCCCCCC)CC(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=CC([O-])=NC3=O)[C@]([H])(O)[C@]2([H])O)[C@]1([H])N=C(C)[O-]

InChI Identifier

InChI=1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/p-2/t19-,20-,21-,24-,25-,26-,27-,28-,29-,30-/m1/s1

InChI Key

TZSJGZGYQDNRRX-MPLCHSTDSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine nucleotide sugars

Direct Parent

Pyrimidine nucleotide sugars

Alternative Parents

Substituents

Pyrimidine nucleotide sugar
Pyrimidine ribonucleoside diphosphate
Saccharolipid
Pentose-5-phosphate
Pentose phosphate
N-acyl-alpha-hexosamine
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Beta-hydroxy acid
Fatty acid ester
Pyrimidone
Oxane
Alkyl phosphate
Organic phosphoric acid derivative
Fatty acyl
Phosphoric acid ester
Monosaccharide
Hydroxy acid
Pyrimidine
Hydropyrimidine
Heteroaromatic compound
Acetamide
Vinylogous amide
Tetrahydrofuran
Urea
Secondary alcohol
Secondary carboxylic acid amide
Carboxamide group
Carboxylic acid ester
Lactam
Carboxylic acid derivative
Organoheterocyclic compound
Azacycle
Oxacycle
Monocarboxylic acid or derivatives
Primary alcohol
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Carbonyl group
Organic anion
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

nucleotide-sugar oxoanion (CHEBI:61494 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	5.74 g/L	ALOGPS
logP	1.15	ALOGPS
logP	0.7	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	339.35 Å²	ChemAxon
Rotatable Bond Count	24	ChemAxon
Refractivity	205.41 m³·mol⁻¹	ChemAxon
Polarizability	79.26 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-0100000090-1ca718cdda03e0ab6bd9	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03e9-1210000090-119bf355a1567bdbfbe8	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-002f-9420000020-5d145f37bf4d6f5969d5	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000x-9110000170-2a38dd03697743032cd3	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-05cr-9511100060-a0cba0eea586e35d678c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-002f-9330000000-948408c70badc8206b09	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human sputum; Human subgingival plaque; Human feces	Unknown

Exposure Sources

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

UDP-OHMYR-ACETYLGLUCOSAMINE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25244942

PDB ID

Not Available

ChEBI ID

61494

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Huang W, Brewer LK, Jones JW, Nguyen AT, Marcu A, Wishart DS, Oglesby-Sherrouse AG, Kane MA, Wilks A: PAMDB: a comprehensive Pseudomonas aeruginosa metabolome database. Nucleic Acids Res. 2018 Jan 4;46(D1):D575-D580. doi: 10.1093/nar/gkx1061. [PubMed:29106626 ]

Showing metabocard for UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-α-D-glucosamine (MMDBc0032881)

MOL for #<Metabolite:0x00007fdb347ec450>

3D MOL for #<Metabolite:0x00007fdb347ec450>

3D SDF for #<Metabolite:0x00007fdb347ec450>

3D-SDF for #<Metabolite:0x00007fdb347ec450>

PDB for #<Metabolite:0x00007fdb347ec450>

3D PDB for #<Metabolite:0x00007fdb347ec450>

SMILES for #<Metabolite:0x00007fdb347ec450>

INCHI for #<Metabolite:0x00007fdb347ec450>

Structure for #<Metabolite:0x00007fdb347ec450>

3D Structure for #<Metabolite:0x00007fdb347ec450>