(11Z,14Z,17Z)-icosatrienoyl-CoA

Chemical Formula:

C₄₁H₆₄N₇O₁₇P₃S

Molecular Weight:

1051.975 Daltons

Monoisotopic Mass:

1055.3605240149 Daltons

SMILES:

CCC=CCC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(OP(=O)([O-])[O-])3)

InChI:

1S/C41H68N7O17P3S/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/h5-6,8-9,11-12,28-30,34-36,40,51-52H,4,7,10,13-27H2,1-3H3,(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-/t30-,34+,35+,36?,40-/m0/s1

InChIKey:

BVBYYRVLCDMZNJ-SKYNJMBCSA-J

Synonyms

(11Z,14Z,17Z)-eicosatrienoyl-CoA
20:3Δ^11,14,17
(11Z,14Z,17Z)-icosa-11,14,17-trienoyl-CoA
(11Z,14Z,17Z)-eicosa-11,14,17-trienoyl-CoA

Databases

MetaCyc: CPD-12647

PubChem (CID): 49859609 71627232

Seed: cpd23510

MetaNetX: MNXM162872

ChEBI: 74328