(2E,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA

Chemical Formula:

C₄₁H₆₀N₇O₁₇P₃S

Molecular Weight:

1047.943 Daltons

Monoisotopic Mass:

1051.3292238865 Daltons

SMILES:

CCC=CCC=CCC=CCC=CCCCCC=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/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,20-21,28-30,34-36,40,51-52H,4,7,10,13,16-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b6-5-,9-8-,12-11-,15-14-,21-20+/t30-,34-,35-,36+,40-/m1/s1

InChIKey:

PTROMSLVPFEIQJ-QPYOYMCKSA-J

Synonyms

(2E,8Z,11Z,14Z,17Z)-icosa-2,8,11,14,17-pentaenoyl-CoA

Databases

MetaCyc: CPD-17264

ChEBI: 76458

PubChem (CID): 72551502

MetaNetX: MNXM145823