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UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl-L-lysinate(3-)

PropertiesImage
MNX_IDMNXM1583727 Image of MNXM1583727
referencechebi:83903
formulaC34H52N7O24P2
global charge-3
mol weight1004.763
InChIKeyWXBLSQNZKMJACT-BYEZXYKXSA-K
InChIInChI=1S/C34H55N7O24P2/c1-14(28(49)39-18(32(53)54)7-8-21(44)38-17(31(51)52)6-4-5-10-35)36-29(50)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)47)64-67(58,59)65-66(56,57)60-13-20-24(46)26(48)30(62-20)41-11-9-22(45)40-34(41)55/h9,11,14-15,17-20,23-27,30,33,42,46-48H,4-8,10,12-13,35H2,1-3H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H,40,45,55)/p-3/t14-,15+,17-,18+,19+,20+,23+,24+,25+,26+,27+,30+,33+/m0/s1
SMILESCC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=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)N[C@@H](CCCC[NH3+])C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C34H55N7O24P2/c1-14(28(49)39-18(32(53)54)7-8-21(44)38-17(31(51)52)6-4-5-10-35)36-29(50)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)47)64-67(58,59)65-66(56,57)60-13-20-24(46)26(48)30(62-20)41-11-9-22(45)40-34(41)55/h9,11,14-15,17-20,23-27,30,33,42,46-48H,4-8,10,12-13,35H2,1-3H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H,40,45,55)/t14-,15+,17-,18+,19+,20+,23+,24+,25+,26+,27+,30+,33+/m0/s1 Image of MNXM1583727
SMILES (mnx)[CH3:1][C@@H:14]([C:28]([NH:39][C@H:18]([CH2:7][CH2:8][C:21]([NH:38][C@@H:17]([CH2:6][CH2:4][CH2:5][CH2:10][NH2:35])[C:31]([OH:51])=[O:52])=[O:44])[C:32](=[O:53])[OH:54])=[O:49])[NH:36][C:29]([C@@H:15]([CH3:2])[O:61][C@@H:27]1[C@@H:23]([NH:37][C:16]([CH3:3])=[O:43])[C@@H:33]([O:64][P:67](=[O:58])([OH:59])[O:65][P:66](=[O:56])([OH:57])[O:60][CH2:13][C@@H:20]2[C@@H:24]([OH:46])[C@@H:26]([OH:48])[C@H:30]([n:41]3[cH:11][cH:9][c:22](=[O:45])[nH:40][c:34]3=[O:55])[O:62]2)[O:63][C@H:19]([CH2:12][OH:42])[C@H:25]1[OH:47])=[O:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:83903
chebi:83903
WXBLSQNZKMJACT-BYEZXYKXSA-K 		UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl-L-lysinate(3-)
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine

metacyc.compound:CPD-209
metacycM:CPD-209
WXBLSQNZKMJACT-BYEZXYKXSA-K 		UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine

CHEBI:16329
chebi:16329
WXBLSQNZKMJACT-SUZIGWMFSA-N 		UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysine
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine
UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys)
uridine 5'-(3-{2-acetamido-3-O-[1-({(2S)-1-[(4-{[(1S)-5-amino-1-carboxypentyl]amino}-1-carboxy-4-oxobutyl)amino]-1-oxopropan-2-yl}amino)-1-oxopropan-2-yl]-2-deoxy-D-glucopyranosyl} dihydrogen diphosphate)

sabiork.compound:8242
sabiorkM:8242
WXBLSQNZKMJACT-SUZIGWMFSA-N 		UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine

kegg.compound:C05892
keggC:C05892
WXBLSQNZKMJACT-BYEZXYKXSA-N 		UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine

seed.compound:cpd03490
seedM:cpd03490
WXBLSQNZKMJACT-BYEZXYKXSA-K 		UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine
uGgl

metacyc.compound:UDP-4-amino-sugars
metacycM:UDP-4-amino-sugars
WXBLSQNZKMJACT-BYEZXYKXSA-K 		a UDP-4-amino-4-deoxy sugar

chebi:13479
chebi:22131
chebi:9838
keggC:M_C05892
seedM:M_cpd03490 		secondary/obsolete/fantasy identifier