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N-acetyl-D-glucosaminyl-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine

MNXM12351 is deprecated and here replaced by MNXM727418
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727418 Image of MNXM727418
referencechebi:27877
formulaC37H61N7O21
global charge0
mol weight939.923
InChIKeyBLHSZJFFDPSTHR-AFKGLOGUSA-N
InChIInChI=1S/C37H61N7O21/c1-13(30(52)44-20(35(59)60)9-10-23(49)43-19(8-6-7-18(38)34(57)58)32(54)40-14(2)33(55)56)39-31(53)15(3)62-29-25(42-17(5)48)36(61)63-22(12-46)28(29)65-37-24(41-16(4)47)27(51)26(50)21(11-45)64-37/h13-15,18-22,24-29,36-37,45-46,50-51,61H,6-12,38H2,1-5H3,(H,39,53)(H,40,54)(H,41,47)(H,42,48)(H,43,49)(H,44,52)(H,55,56)(H,57,58)(H,59,60)/t13-,14+,15+,18?,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36?,37-/m0/s1
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC(N)C(=O)O)C(=O)N[C@H](C)C(=O)O)C(=O)O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C37H61N7O21/c1-13(30(52)44-20(35(59)60)9-10-23(49)43-19(8-6-7-18(38)34(57)58)32(54)40-14(2)33(55)56)39-31(53)15(3)62-29-25(42-17(5)48)36(61)63-22(12-46)28(29)65-37-24(41-16(4)47)27(51)26(50)21(11-45)64-37/h13-15,18-22,24-29,36-37,45-46,50-51,61H,6-12,38H2,1-5H3,(H,39,53)(H,40,54)(H,41,47)(H,42,48)(H,43,49)(H,44,52)(H,55,56)(H,57,58)(H,59,60)/t13-,14+,15+,18?,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36?,37-/m0/s1 Image of MNXM727418
SMILES (mnx)[CH3:1][C@@H:13]([C:30](=[N:44][C@H:20]([CH2:9][CH2:10][C:23](=[N:43][C@@H:19]([CH2:8][CH2:6][CH2:7][CH:18]([C:34](=[O:57])[OH:58])[NH2:38])[C:32](=[N:40][C@H:14]([CH3:2])[C:33](=[O:55])[OH:56])[OH:54])[OH:49])[C:35](=[O:59])[OH:60])[OH:52])[N:39]=[C:31]([C@@H:15]([CH3:3])[O:62][C@@H:29]1[C@@H:25]([N:42]=[C:17]([CH3:5])[OH:48])[CH:36]([OH:61])[O:63][C@H:22]([CH2:12][OH:46])[C@H:28]1[O:65][C@H:37]1[C@H:24]([N:41]=[C:16]([CH3:4])[OH:47])[C@@H:27]([OH:51])[C@H:26]([OH:50])[C@@H:21]([CH2:11][OH:45])[O:64]1)[OH:53]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27877
chebi:27877
BLHSZJFFDPSTHR-AFKGLOGUSA-N 		N-acetyl-D-glucosaminyl-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine
N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine
beta-GlcNAc-(1->4)-MurNAc-L-Ala-gamma-D-Glu-6-carboxy-L-Lys-D-Ala

CHEBI:90762
chebi:90762
BLHSZJFFDPSTHR-AFKGLOGUSA-L 		N-acetyl-D-glucosaminyl-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine(2-)
beta-GlcNAc-(1->4)-MurNAc-L-Ala-gamma-D-Glu-6-carboxy-L-Lys-D-Ala(2-)

chebi:21531
chebi:7134 		secondary/obsolete/fantasy identifier