trans-docos-2-enoyl-CoA

Chemical Formula:

C₄₃H₇₂N₇O₁₇P₃S

Molecular Weight:

1084.06 Daltons

Monoisotopic Mass:

1087.4231242717 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O

InChI:

1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h22-23,30-32,36-38,42,53-54H,4-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b23-22+/t32-,36-,37-,38+,42-/m1/s1

InChIKey:

KRTIFNFQCJTGMV-DYAVHEMFSA-J

Synonyms

trans-2,3-dihydro-docosenoyl-CoA
(2E)-docosenoyl-CoA

Databases

MetaCyc: CPD-14281

PubChem (CID): 71627306

ChEBI: 74692

Reactome: 5695976

Seed: cpd24271

HMDB: HMDB62226

MetaNetX: MNXM97615