(2E)-dec-2-enoyl-CoA

Chemical Formula:

C₃₁H₄₈N₇O₁₇P₃S

Molecular Weight:

915.738 Daltons

Monoisotopic Mass:

919.2353235013001 Daltons

SMILES:

CCCCCCCC=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/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b11-10+/t20-,24-,25-,26+,30-/m1/s1

InChIKey:

MGNBGCRQQFMNBM-YJHHLLFWSA-J

Synonyms

2E-decenoyl-CoA
2-trans-decenoyl-CoA
trans-Δ²-decenoyl-CoA
trans-dec-2-enoyl-CoA

Databases

MetaCyc: T2-DECENOYL-COA

RefMet: 2E-decenoyl-CoA

BiGG: dc2coa

PubChem (CID): 50909850

MetaboLights: MTBLC61406

HMDB: HMDB03948

ChEBI: 61406

KEGG: C05275

Reactome: 77343

Seed: cpd03129

MetaNetX: MNXM580