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

MNXM7865 is deprecated and here replaced by MNXM730303
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM730303 Image of MNXM730303
referencechebi:70758
formulaC40H62N9O26P2
global charge-3
mol weight1146.921
InChIKeyPFMVORMCVGOQKR-XNCOKRRHSA-K
InChIInChI=1S/C40H65N9O26P2/c1-16(32(57)44-18(3)37(61)62)43-35(60)21(8-6-7-12-41)46-25(52)10-9-22(38(63)64)47-33(58)17(2)42-34(59)19(4)71-31-27(45-20(5)51)39(73-23(14-50)29(31)55)74-77(68,69)75-76(66,67)70-15-24-28(54)30(56)36(72-24)49-13-11-26(53)48-40(49)65/h11,13,16-19,21-24,27-31,36,39,50,54-56H,6-10,12,14-15,41H2,1-5H3,(H,42,59)(H,43,60)(H,44,57)(H,45,51)(H,46,52)(H,47,58)(H,61,62)(H,63,64)(H,66,67)(H,68,69)(H,48,53,65)/p-3/t16-,17+,18-,19-,21+,22-,23-,24-,27-,28-,29-,30-,31-,36-,39-/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)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C40H65N9O26P2/c1-16(32(57)44-18(3)37(61)62)43-35(60)21(8-6-7-12-41)46-25(52)10-9-22(38(63)64)47-33(58)17(2)42-34(59)19(4)71-31-27(45-20(5)51)39(73-23(14-50)29(31)55)74-77(68,69)75-76(66,67)70-15-24-28(54)30(56)36(72-24)49-13-11-26(53)48-40(49)65/h11,13,16-19,21-24,27-31,36,39,50,54-56H,6-10,12,14-15,41H2,1-5H3,(H,42,59)(H,43,60)(H,44,57)(H,45,51)(H,46,52)(H,47,58)(H,61,62)(H,63,64)(H,66,67)(H,68,69)(H,48,53,65)/t16-,17+,18-,19-,21+,22-,23-,24-,27-,28-,29-,30-,31-,36-,39-/m1/s1 Image of MNXM730303
SMILES (mnx)[CH3:1][C@H:16]([C:32](=[N:44][C@H:18]([CH3:3])[C:37](=[O:61])[OH:62])[OH:57])[N:43]=[C:35]([C@H:21]([CH2:8][CH2:6][CH2:7][CH2:12][NH2:41])[N:46]=[C:25]([CH2:10][CH2:9][C@H:22]([C:38](=[O:63])[OH:64])[N:47]=[C:33]([C@H:17]([CH3:2])[N:42]=[C:34]([C@@H:19]([CH3:4])[O:71][C@@H:31]1[C@@H:27]([N:45]=[C:20]([CH3:5])[OH:51])[C@@H:39]([O:74][P:77]([OH:68])(=[O:69])[O:75][P:76]([OH:66])(=[O:67])[O:70][CH2:15][C@@H:24]2[C@@H:28]([OH:54])[C@@H:30]([OH:56])[C@H:36]([N:49]3[CH:13]=[CH:11][C:26]([OH:53])=[N:48][C:40]3=[O:65])[O:72]2)[O:73][C@H:23]([CH2:14][OH:50])[C@H:29]1[OH:55])[OH:59])[OH:58])[OH:52])[OH:60]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)18
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70758
chebi:70758
PFMVORMCVGOQKR-XNCOKRRHSA-K 		UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alaninate(3-)

metacyc.compound:C3
metacycM:C3
PFMVORMCVGOQKR-XNCOKRRHSA-K 		UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
UDP-MurNAc-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala
UDP-MurNAc-pentapeptide

CHEBI:70768
chebi:70768
PFMVORMCVGOQKR-XNCOKRRHSA-N 		UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
uridine 5'-(3-{2-acetamido-3-O-[(2R,5R,8S,16S)-8-(4-aminobutyl)-2,13-dicarboxy-5,16-dimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-19-yl]-2-deoxy-alpha-D-glucopyranosyl} dihydrogen diphosphate)

sabiork.compound:7614
sabiorkM:7614
PFMVORMCVGOQKR-XEKCPOMLSA-N 		UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine

vmhM:uGgla
vmhmetabolite:uGgla
PFMVORMCVGOQKR-XNCOKRRHSA-N 		UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine

CHEBI:58086
chebi:58086
PFMVORMCVGOQKR-XEKCPOMLSA-K 		UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine(3-)
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alaninate trianion
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine trianion
uridine 5'-(3-{2-acetamido-3-O-[(2R,5R,8S,16S)-8-(4-azaniumylbutyl)-2,13-dicarboxylato-5,16-dimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-19-yl]-2-deoxy-D-glucopyranosyl} diphosphate)

CHEBI:17277
chebi:17277
PFMVORMCVGOQKR-XEKCPOMLSA-N 		UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine

seed.compound:cpd02862
seedM:cpd02862
PFMVORMCVGOQKR-XNCOKRRHSA-K 		UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)
UDP-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala)
UDP-MurNAc-pentapeptide
UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D- alanine
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
uGgla

sabiork.compound:7502
sabiorkM:7502
PFMVORMCVGOQKR-XKFDNXACSA-N 		UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D- alanine
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine

kegg.compound:C04702
keggC:C04702
PFMVORMCVGOQKR-XNCOKRRHSA-N 		UDPMurNAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine

chebi:13465
chebi:13480
chebi:13485
chebi:13494
chebi:13501
chebi:16574
chebi:22128
chebi:22136
chebi:57821
chebi:9835
chebi:9841
keggC:M_C04702
seedM:M_cpd02862
vmhM:M_uGgla 		secondary/obsolete/fantasy identifier