(7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA

Chemical Formula:

C₄₃H₆₄N₇O₁₈P₃S

Molecular Weight:

1091.996 Daltons

Monoisotopic Mass:

1095.3554386370001 Daltons

SMILES:

CCCCCC=CCC=CCC=CCC=CCCCC(=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/C43H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4-7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/m1/s1

InChIKey:

VMAJWSSWCPBIJY-KPOVBLHLSA-J

Synonyms

(7Z,10Z,13Z,16Z)-3-oxodocosa-7,10,13,16-tetraenoyl-CoA
3-oxoadrenoyl-CoA

Databases

MetaCyc: CPD-17324

ChEBI: 73852

PubChem (CID): 71581099

Reactome: 548816

MetaNetX: MNXM31378