7-methyl-3-oxooct-6-enoyl-CoA

Chemical Formula:

C₃₀H₄₄N₇O₁₈P₃S

Molecular Weight:

915.695 Daltons

Monoisotopic Mass:

919.1989379949999 Daltons

SMILES:

CC(C)=CCCC(=O)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-]

InChI:

1S/C30H48N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h6,15-16,19,23-25,29,41-42H,5,7-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t19-,23-,24-,25+,29-/m1/s1

InChIKey:

LPMIXVANMSEERY-FUEUKBNZSA-J

Synonyms

7-methyl-3-oxo-6-octenoyl-CoA

Databases

MetaCyc: CPD-12897

HMDB: HMDB60421

ChEBI: 71410

PubChem (CID): 50986200

KEGG: C16466

Seed: cpd15170

MetaNetX: MNXM3199