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UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanine

PropertiesImage
MNX_IDMNXM91324 Image of MNXM91324
referencechebi:232760
formulaC37H57N8O25P2
global charge-3
mol weight1075.842
InChIKeyFOEDSVRZGQIXSP-XSOIKTQOSA-K
InChIInChI=1S/C37H60N8O25P2/c1-15(30(53)43-20(35(58)59)8-9-23(48)42-19(7-5-6-11-38)32(55)40-16(2)34(56)57)39-31(54)17(3)66-29-25(41-18(4)47)36(68-21(13-46)27(29)51)69-72(63,64)70-71(61,62)65-14-22-26(50)28(52)33(67-22)45-12-10-24(49)44-37(45)60/h10,12,15-17,19-22,25-29,33,36,46,50-52H,5-9,11,13-14,38H2,1-4H3,(H,39,54)(H,40,55)(H,41,47)(H,42,48)(H,43,53)(H,56,57)(H,58,59)(H,61,62)(H,63,64)(H,44,49,60)/p-3/t15-,16+,17+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,36+/m0/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)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C37H60N8O25P2/c1-15(30(53)43-20(35(58)59)8-9-23(48)42-19(7-5-6-11-38)32(55)40-16(2)34(56)57)39-31(54)17(3)66-29-25(41-18(4)47)36(68-21(13-46)27(29)51)69-72(63,64)70-71(61,62)65-14-22-26(50)28(52)33(67-22)45-12-10-24(49)44-37(45)60/h10,12,15-17,19-22,25-29,33,36,46,50-52H,5-9,11,13-14,38H2,1-4H3,(H,39,54)(H,40,55)(H,41,47)(H,42,48)(H,43,53)(H,56,57)(H,58,59)(H,61,62)(H,63,64)(H,44,49,60)/t15-,16+,17+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,36+/m0/s1 Image of MNXM91324
SMILES (mnx)[CH3:1][C@@H:15]([C:30](=[N:43][C@H:20]([CH2:8][CH2:9][C:23](=[N:42][C@@H:19]([CH2:7][CH2:5][CH2:6][CH2:11][NH2:38])[C:32](=[N:40][C@H:16]([CH3:2])[C:34](=[O:56])[OH:57])[OH:55])[OH:48])[C:35](=[O:58])[OH:59])[OH:53])[N:39]=[C:31]([C@@H:17]([CH3:3])[O:66][C@@H:29]1[C@@H:25]([N:41]=[C:18]([CH3:4])[OH:47])[C@@H:36]([O:69][P:72]([OH:63])(=[O:64])[O:70][P:71]([OH:61])(=[O:62])[O:65][CH2:14][C@@H:22]2[C@@H:26]([OH:50])[C@@H:28]([OH:52])[C@H:33]([N:45]3[CH:12]=[CH:10][C:24]([OH:49])=[N:44][C:37]3=[O:60])[O:67]2)[O:68][C@H:21]([CH2:13][OH:46])[C@H:27]1[OH:51])[OH:54]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:232760
chebi:232760
FOEDSVRZGQIXSP-XSOIKTQOSA-K 		UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanine
UDP-MurNAc-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala
UDP-MurNAc-tetrapeptide
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanine(3-)

seed.compound:cpd23315
seedM:cpd23315
FOEDSVRZGQIXSP-XSOIKTQOSA-K 		UDP-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala)
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanine

metacyc.compound:CPD-12258
metacycM:CPD-12258
FOEDSVRZGQIXSP-XSOIKTQOSA-K 		UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanine
UDP-MurNAc-L-Ala-g-D-Glu-L-Lys-D-Ala
UDP-MurNAc-tetrapeptide

sabiork.compound:8629
sabiorkM:8629
CHEBI:28081
chebi:28081
FOEDSVRZGQIXSP-XSOIKTQOSA-N 		UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine

seed.compound:cpd12876
seedM:cpd12876
kegg.compound:C06432
keggC:C06432
FOEDSVRZGQIXSP-XSOIKTQOSA-K
FOEDSVRZGQIXSP-XSOIKTQOSA-N 		UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine

chebi:22127
chebi:9834
keggC:M_C06432
seedM:M_cpd12876
seedM:M_cpd23315 		secondary/obsolete/fantasy identifier