trans-arachido-2-enoyl-CoA

Chemical Formula:

C₄₁H₆₈N₇O₁₇P₃S

Molecular Weight:

1056.006 Daltons

Monoisotopic Mass:

1059.3918241433 Daltons

SMILES:

CCCCCCCCCCCCCCCCCC=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/C41H72N7O17P3S/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/h20-21,28-30,34-36,40,51-52H,4-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b21-20+/t30-,34-,35-,36+,40-/m1/s1

InChIKey:

ROOFWBIMBMJYGA-DSAUMYHJSA-J

Synonyms

trans-2,3-dihydro-arachido-2-enoyl-CoA
(2E)-arachidoenoyl-CoA

Databases

MetaCyc: CPD-14280

PubChem (CID): 71627315

ChEBI: 74691

Seed: cpd24270

HMDB: HMDB62227

MetaNetX: MNXM22115