3-(4-methylpent-3-en-1-yl)-pent-2-enedioyl-CoA

Chemical Formula:

C₃₂H₄₅N₇O₁₉P₃S

Molecular Weight:

956.724 Daltons

Monoisotopic Mass:

961.2095026813 Daltons

SMILES:

CC(C)=CCCC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CC([O-])=O

InChI:

1S/C32H50N7O19P3S/c1-18(2)6-5-7-19(12-22(41)42)13-23(43)62-11-10-34-21(40)8-9-35-30(46)27(45)32(3,4)15-55-61(52,53)58-60(50,51)54-14-20-26(57-59(47,48)49)25(44)31(56-20)39-17-38-24-28(33)36-16-37-29(24)39/h6,13,16-17,20,25-27,31,44-45H,5,7-12,14-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-5/b19-13-/t20-,25-,26-,27+,31-/m1/s1

InChIKey:

BVEJAKPMABGOEE-XMLXCZKLSA-I

Synonyms

isohexenyl-glutaconyl-CoA

Databases

MetaCyc: CPD-76

PubChem (CID): 122706398

ChEBI: 57339

KEGG: C01291

Seed: cpd00948

MetaNetX: MNXM2076