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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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UDP-N-acetyl-alpha-D-muramoyl-L-alanine

MNXM1953 is deprecated and here replaced by MNXM732162
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM732162
reference	chebi:83898
formula	C₂₃H₃₃N₄O₂₀P₂
global charge	-3
mol weight	747.473
InChIKey	NTMMCWJNQNKACG-KBKUWGQMSA-K
InChI	InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/p-3/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1
SMILES	CC(=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)N[C@@H](C)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1
SMILES (mnx)	[CH3:1][C@@H:8]([C:21](=[O:35])[OH:36])[N:24]=[C:19]([C@@H:9]([CH3:2])[O:43][C@@H:18]1[C@@H:14]([N:25]=[C:10]([CH3:3])[OH:29])[C@@H:22]([O:46][P:49]([OH:40])(=[O:41])[O:47][P:48]([OH:38])(=[O:39])[O:42][CH2:7][C@@H:12]2[C@@H:15]([OH:31])[C@@H:17]([OH:33])[C@H:20]([N:27]3[CH:5]=[CH:4][C:13]([OH:30])=[N:26][C:23]3=[O:37])[O:44]2)[O:45][C@H:11]([CH2:6][OH:28])[C@H:16]1[OH:32])[OH:34]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83898 chebi:83898 NTMMCWJNQNKACG-KBKUWGQMSA-K	UDP-N-acetyl-alpha-D-muramoyl-L-alanine UDP-N-acetyl-alpha-D-muramoyl-L-alaninate(3-)
metacyc.compound:CPD0-1456 metacycM:CPD0-1456 NTMMCWJNQNKACG-KBKUWGQMSA-K	UDP-N-acetyl-alpha-D-muramoyl-L-alanine UDP-N-acetyl-alpha-D-muramoyl-L-Ala
CHEBI:84726 chebi:84726 NTMMCWJNQNKACG-KBKUWGQMSA-N	UDP-N-acetyl-alpha-D-muramoyl-L-alanine UDP-N-acetylmuramoyl-L-alanine uridine 5'-(3-{2-acetylamino-3-O-[2-(L-alaninocarboxy)ethyl]-2-deoxy-alpha-D-glucopyranosyl}dihydrogen diphosphate) uridine-5'-diphosphate-N-acetylmuramoyl-L-alanine
CHEBI:57953 chebi:57953 NTMMCWJNQNKACG-CPDMUANVSA-K	UDP-N-acetylmuramoyl-L-alaninate(3-) UDP-N-acetylmuramoyl-L-alaninate trianion
bigg.metabolite:uama biggM:uama sabiork.compound:2265 sabiorkM:2265 vmhM:uama vmhmetabolite:uama NTMMCWJNQNKACG-CPDMUANVSA-N NTMMCWJNQNKACG-UHFFFAOYSA-K	UDP-N-acetylmuramoyl-L-alanine
kegg.compound:C01212 keggC:C01212 NTMMCWJNQNKACG-KBKUWGQMSA-N	UDP-N-acetylmuramoyl-L-alanine UDP-N-acetyl-alpha-D-muramoyl-L-alanine
seed.compound:cpd00890 seedM:cpd00890 NTMMCWJNQNKACG-KBKUWGQMSA-K	UDP-N-acetylmuramoyl-L-alanine UDP-N-acetyl-alpha-D-muramoyl-L-alanine UDP-N-acetyl-alpha-D-muramyl-L-Ala UDP-N-acetylmuramyl-L-Ala uama
CHEBI:16932 chebi:16932 NTMMCWJNQNKACG-CPDMUANVSA-N	UDP-N-acetylmuramoyl-L-alanine uridine 5'-(3-{2-acetylamino-3-O-[2-(L-alaninocarboxy)ethyl]-2-deoxy-D-glucopyranosyl}dihydrogen diphosphate)
chebi:13459 chebi:13478 chebi:22123 chebi:9830 biggM:M_uama keggC:M_C01212 seedM:M_cpd00890 vmhM:M_uama	secondary/obsolete/fantasy identifier