Δ2,5-3,4,4-trimethylpimeloyl-CoA

Δ<SUP>2,5</SUP>-3,4,4-trimethylpimeloyl-CoA




Chemical Formula:
C31H43N7O19P3S
Molecular Weight:
942.697 Daltons
Monoisotopic Mass:
947.1938526171 Daltons
SMILES:
CC(C(C)(C)C=CC(=O)[O-])=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP([O-])(=O)OCC1(OC(C(C(OP([O-])([O-])=O)1)O)N2(C3(N=CN=C(C(N=C2)=3)N))))O
InChI:
1S/C31H48N7O19P3S/c1-17(30(2,3)8-6-20(40)41)12-21(42)61-11-10-33-19(39)7-9-34-28(45)25(44)31(4,5)14-54-60(51,52)57-59(49,50)53-13-18-24(56-58(46,47)48)23(43)29(55-18)38-16-37-22-26(32)35-15-36-27(22)38/h6,8,12,15-16,18,23-25,29,43-44H,7,9-11,13-14H2,1-5H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-5/b8-6+,17-12+
InChIKey:
DEQKKPDRDCEPQL-GBVVBBQNSA-I

Databases
MetaCyc:  CPD-869
ChEBI:  23608
PubChem (CID):  25245382 138319319
UMBBD-Compounds:  c0412
Seed:  cpd25382
MetaNetX:  MNXM22522