N-acetyl-D-glucosaminyl-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine
Chemical Formula:
C37H59N7O21
Molecular Weight:
937.907 Daltons
Monoisotopic Mass:
940.3998770907 Daltons
SMILES:
CC(C(NC(CCC(NC(CCCC(C([O-])=O)[N+])C(NC(C)C([O-])=O)=O)=O)C([O-])=O)=O)NC(C(C)OC1(C(C(O)OC(CO)C1OC2(C(C(C(C(CO)O2)O)O)NC(C)=O))NC(C)=O))=O
InChI:
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)/p-2/t13-,14+,15?,18?,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36-,37-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-13359
PubChem (CID):
52940126
KEGG:
C04904
Seed:
cpd02984
MetaNetX:
MNXM12351
ChEBI:
27877