GlcNAc-1,6-anhMurNAc-L-Ala-γ-D-Glu-DAP-D-Ala
Chemical Formula:
C37H57N7O20
Molecular Weight:
919.892 Daltons
Monoisotopic Mass:
922.3893124044 Daltons
SMILES:
CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)[O-])=O)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O)C(O)C(NC(C)=O)1))C3(COC(C(NC(=O)C)2)O3))
InChI:
1S/C37H59N7O20/c1-13(30(51)44-20(35(58)59)9-10-23(48)43-19(8-6-7-18(38)34(56)57)32(53)40-14(2)33(54)55)39-31(52)15(3)61-29-25(42-17(5)47)36-60-12-22(63-36)28(29)64-37-24(41-16(4)46)27(50)26(49)21(11-45)62-37/h13-15,18-22,24-29,36-37,45,49-50H,6-12,38H2,1-5H3,(H,39,52)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,51)(H,54,55)(H,56,57)(H,58,59)/p-2/t13-,14+,15+,18+,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36+,37-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD0-1080
PubChem (CID):
129320261
Seed:
cpd25964
MetaNetX:
MNXM83366