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

Feedback

UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate

MNXM741614 is deprecated and replaced by MNXM741611

	Properties	Image
MNX_ID	MNXM741611
reference	chebi:83900
formula	C₂₈H₃₉N₅O₂₃P₂
global charge	-4
mol weight	875.58
InChIKey	OJZCATPXPWFLHF-HPUCEMLMSA-J
InChI	InChI=1S/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3)35)27(54-14(8-34)20(22)40)55-58(49,50)56-57(47,48)51-9-15-19(39)21(41)25(53-15)33-7-6-16(36)32-28(33)46/h6-7,10-11,13-15,18-22,25,27,34,39-41H,4-5,8-9H2,1-3H3,(H,29,43)(H,30,35)(H,31,42)(H,37,38)(H,44,45)(H,47,48)(H,49,50)(H,32,36,46)/p-4/t10-,11+,13+,14+,15+,18+,19+,20+,21+,22+,25+,27+/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)N[C@H](CCC(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3)35)27(54-14(8-34)20(22)40)55-58(49,50)56-57(47,48)51-9-15-19(39)21(41)25(53-15)33-7-6-16(36)32-28(33)46/h6-7,10-11,13-15,18-22,25,27,34,39-41H,4-5,8-9H2,1-3H3,(H,29,43)(H,30,35)(H,31,42)(H,37,38)(H,44,45)(H,47,48)(H,49,50)(H,32,36,46)/t10-,11+,13+,14+,15+,18+,19+,20+,21+,22+,25+,27+/m0/s1
SMILES (mnx)	[CH3:1][C@@H:10]([C:23](=[N:31][C@H:13]([CH2:4][CH2:5][C:17](=[O:37])[OH:38])[C:26](=[O:44])[OH:45])[OH:42])[N:29]=[C:24]([C@@H:11]([CH3:2])[O:52][C@@H:22]1[C@@H:18]([N:30]=[C:12]([CH3:3])[OH:35])[C@@H:27]([O:55][P:58]([OH:49])(=[O:50])[O:56][P:57]([OH:47])(=[O:48])[O:51][CH2:9][C@@H:15]2[C@@H:19]([OH:39])[C@@H:21]([OH:41])[C@H:25]([N:33]3[CH:7]=[CH:6][C:16]([OH:36])=[N:32][C:28]3=[O:46])[O:53]2)[O:54][C@H:14]([CH2:8][OH:34])[C@H:20]1[OH:40])[OH:43]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83900 chebi:83900 OJZCATPXPWFLHF-HPUCEMLMSA-J	UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate(4-)
metacyc.compound:UDP-AA-GLUTAMATE metacycM:UDP-AA-GLUTAMATE OJZCATPXPWFLHF-HPUCEMLMSA-J	UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate UDP-MurNAc-L-ala-D-Glu
CHEBI:46143 chebi:46143 OJZCATPXPWFLHF-HPUCEMLMSA-N	UDP-N-acetyl-alpha-muramoyl-L-alanyl-D-glutamic acid URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE
bigg.metabolite:uamag biggM:uamag sabiork.compound:5185 sabiorkM:5185 vmhM:uamag vmhmetabolite:uamag OJZCATPXPWFLHF-DNMPHPEFSA-N OJZCATPXPWFLHF-UHFFFAOYSA-J	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate
CHEBI:57968 chebi:57968 OJZCATPXPWFLHF-DNMPHPEFSA-J	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate(4-) UDP-N-acetylmuramoyl-L-alanyl-D-glutamate tetraanion uridine 5'-(3-{2-acetamido-2-deoxy-3-O-[(2R)-1-{[(2S)-1-D-glutamato-1-oxopropan-2-yl]amino}-1-oxopropan-2-yl]-D-glucopyranosyl} diphosphate)
kegg.compound:C00692 keggC:C00692 OJZCATPXPWFLHF-HPUCEMLMSA-N	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate
seed.compound:cpd00525 seedM:cpd00525 OJZCATPXPWFLHF-HPUCEMLMSA-J	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate UDP-N-acetylmuramoyl-L-alanyl-D-glutamate tetraanion uamag uridine 5'-(3-{2-acetamido-2-deoxy-3-O-[(2R)-1-{[(2S)-1-D-glutamato-1-oxopropan-2-yl]amino}-1-oxopropan-2-yl]-D-glucopyranosyl} diphosphate)
CHEBI:16970 chebi:16970 OJZCATPXPWFLHF-DNMPHPEFSA-N	UDP-N-acetylmuramoyl-L-alanyl-D-glutamic acid UDP-Mur2Ac-L-Ala-D-Glu UDP-MurNAc-L-Ala-D-Glu UDP-N-acetylmuramoyl-L-alanyl-D-glutamate uridine 5'-(3-{2-acetamido-2-deoxy-3-O-[(2R)-1-{[(2S)-1-D-glutamo-1-oxopropan-2-yl]amino}-1-oxopropan-2-yl]-D-glucopyranosyl} dihydrogen diphosphate)
chebi:13461 chebi:13482 chebi:22125 chebi:9832 biggM:M_uamag keggC:M_C00692 seedM:M_cpd00525 vmhM:M_uamag	secondary/obsolete/fantasy identifier