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UDP-N-acetyl-alpha-D-muramate

PropertiesImage
MNX_IDMNXM1107410 Image of MNXM1107410
referencechebi:70757
formulaC20H28N3O19P2
global charge-3
mol weight676.394
InChIKeyNQBRVZNDBBMBLJ-MQTLHLSBSA-K
InChIInChI=1S/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/p-3/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 Image of MNXM1107410
SMILES (mnx)[CH3:1][C@H:7]([C:18](=[O:30])[OH:31])[O:38][C@@H:16]1[C@@H:12]([N:21]=[C:8]([CH3:2])[OH:25])[C@@H:19]([O:41][P:44]([OH:35])(=[O:36])[O:42][P:43]([OH:33])(=[O:34])[O:37][CH2:6][C@@H:10]2[C@@H:13]([OH:27])[C@@H:15]([OH:29])[C@H:17]([N:23]3[CH:4]=[CH:3][C:11]([OH:26])=[N:22][C:20]3=[O:32])[O:39]2)[O:40][C@H:9]([CH2:5][OH:24])[C@H:14]1[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)30
in models (compartimentalized) 23
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70757
chebi:70757
NQBRVZNDBBMBLJ-MQTLHLSBSA-K 		UDP-N-acetyl-alpha-D-muramate
UDP-N-acetyl-alpha-D-muramate(3-)
uridine 5'-(3-{2-acetylamino-3-O-[(R)-1-carboxylatoethyl]-2-deoxy-alpha-D-glucopyranosyl} diphosphate)

seed.compound:cpd00773
seedM:cpd00773
NQBRVZNDBBMBLJ-MQTLHLSBSA-K 		UDP-MurNAc
-O-[(1R)-1-carboxyethyl]-2-acetoxy-2-deoxy-D-glucopyranose
UDP-N-acetyl-D-muramate
UDP-N-acetyl-alpha-D-muramate
UDP-N-acetylmuramate
UDP-N-acetylmuramic acid
UDP-N-acetylmuramoyl
uamr
uridine diphosphate N-acetylmuramic acid

metacyc.compound:UDP-N-ACETYLMURAMATE
metacycM:UDP-N-ACETYLMURAMATE
NQBRVZNDBBMBLJ-MQTLHLSBSA-K 		UDP-N-acetyl-alpha-D-muramate
-O-[(1R)-1-carboxyethyl]-2-acetoxy-2-deoxy-D-glucopyranose
UDP-MurNAc
UDP-N-acetyl-D-muramate
UDP-N-acetylmuramic acid
UDP-N-acetylmuramoyl
dihydro-UDP-MurNAc
dihydro-UDP-N-acetylmuramate
dihydro-UDP-N-acetylmuramic acid
uridine diphosphate N-acetylmuramic acid

CHEBI:70765
chebi:70765
NQBRVZNDBBMBLJ-MQTLHLSBSA-N 		UDP-N-acetyl-alpha-D-muramic acid
UDP-MurNAc
UDP-N-acetylmuramic acid
uridine 5'-(3-{2-acetylamino-3-O-[(R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranosyl} dihydrogen diphosphate)

bigg.metabolite:uamr
biggM:uamr
NQBRVZNDBBMBLJ-UHFFFAOYSA-K 		UDP-N-acetylmuramate

CHEBI:58309
chebi:58309
NQBRVZNDBBMBLJ-VZUUOWJQSA-K 		UDP-N-acetylmuramate(3-)
UDP-N-acetylmuramate
UDP-N-acetylmuramate trianion
uridine 5'-(3-{2-acetylamino-3-O-[(R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranosyl} diphosphate)

vmhM:uamr
vmhmetabolite:uamr
NQBRVZNDBBMBLJ-UHFFFAOYSA-K 		UDP-N-acetylmuramate
2-{[2-({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)ox

kegg.compound:C01050
keggC:C01050
NQBRVZNDBBMBLJ-MQTLHLSBSA-N 		UDP-N-acetylmuramate
UDP-MurNAc
UDP-N-acetyl-alpha-D-muramate
UDP-N-acetylmuramic acid

sabiork.compound:2230
sabiorkM:2230
NQBRVZNDBBMBLJ-VZUUOWJQSA-N 		UDP-N-acetylmuramate
UDP-MurNAc
UDP-N-acetylmuramic acid

CHEBI:17882
chebi:17882
NQBRVZNDBBMBLJ-VZUUOWJQSA-N 		UDP-N-acetylmuramic acid
uridine 5'-(3-{2-acetylamino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranosyl} dihydrogen diphosphate)
hmdb:HMDB0011720
NQBRVZNDBBMBLJ-UHFFFAOYSA-N 		UDP-N-acetylmuraminate
2-({2-[({[5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)propanoic acid
2-{[2-({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoic acid
N-Acetylmuramoyl-UDP
UDP-MurNAc
UDP-N-Acetyl-D-muramate
UDP-N-Acetylmuramate
UDP-N-Acetylmuramic acid
UDP-N-Acetylmuraminic acid
Uridine diphosphate N-acetylmuramic acid

CHEBI:88385
chebi:88385
NQBRVZNDBBMBLJ-UHFFFAOYSA-N 		UDP-N-acetylmuraminate
2-{[2-({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoic acid
N-Acetylmuramoyl-UDP
UDP-MurNAc
UDP-N-Acetyl-D-muramate
UDP-N-Acetylmuramate
UDP-N-Acetylmuramic acid
Uridine diphosphate N-acetylmuramic acid

hmdb:HMDB11720
chebi:13458
chebi:13477
chebi:22120
chebi:9827
biggM:M_uamr
keggC:M_C01050
seedM:M_cpd00773
vmhM:M_uamr 		secondary/obsolete/fantasy identifier