UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanine

Chemical Formula:

C₃₇H₅₇N₈O₂₅P₂

Molecular Weight:

1075.843 Daltons

Monoisotopic Mass:

1079.3223075722 Daltons

SMILES:

CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC[N+])C(NC(C)C(=O)[O-])=O)NC(=O)C(C)OC1(C(O)C(CO)OC(C(NC(=O)C)1)OP(OP(OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))([O-])=O)([O-])=O)

InChI:

1S/C37H60N8O25P2/c1-15(30(53)43-20(35(58)59)8-9-23(48)42-19(7-5-6-11-38)32(55)40-16(2)34(56)57)39-31(54)17(3)66-29-25(41-18(4)47)36(68-21(13-46)27(29)51)69-72(63,64)70-71(61,62)65-14-22-26(50)28(52)33(67-22)45-12-10-24(49)44-37(45)60/h10,12,15-17,19-22,25-29,33,36,46,50-52H,5-9,11,13-14,38H2,1-4H3,(H,39,54)(H,40,55)(H,41,47)(H,42,48)(H,43,53)(H,56,57)(H,58,59)(H,61,62)(H,63,64)(H,44,49,60)/p-3/t15-,16+,17+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,36+/m0/s1

InChIKey:

FOEDSVRZGQIXSP-XSOIKTQOSA-K

Synonyms

UDP-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala)
UDP-MurNAc-tetrapeptide

Databases

MetaCyc: CPD-12258

PubChem (CID): 90658175

KEGG: C06432

MetaNetX: MNXM91324