N-acetyl-D-glucosaminyl-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine
Chemical Formula:
C34H54N6O20
Molecular Weight:
866.829 Daltons
Monoisotopic Mass:
869.3627633029 Daltons
SMILES:
CC(C(NC(CCC(NC(CCCC(C([O-])=O)[N+])C([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/C34H56N6O20/c1-12(28(48)40-18(32(54)55)8-9-21(45)39-17(31(52)53)7-5-6-16(35)30(50)51)36-29(49)13(2)57-27-23(38-15(4)44)33(56)58-20(11-42)26(27)60-34-22(37-14(3)43)25(47)24(46)19(10-41)59-34/h12-13,16-20,22-27,33-34,41-42,46-47,56H,5-11,35H2,1-4H3,(H,36,49)(H,37,43)(H,38,44)(H,39,45)(H,40,48)(H,50,51)(H,52,53)(H,54,55)/p-2/t12-,13?,16?,17-,18+,19+,20+,22+,23+,24+,25+,26+,27+,33-,34-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-13360
PubChem (CID):
52940129
MetaNetX:
MNXM19616