trans-hex-2-enoyl-CoA

Chemical Formula:

C₂₇H₄₀N₇O₁₇P₃S

Molecular Weight:

859.631 Daltons

Monoisotopic Mass:

863.1727232444999 Daltons

SMILES:

CCCC=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/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b7-6+/t16-,20-,21-,22+,26-/m1/s1

InChIKey:

OINXHIBNZUUIMR-IXUYQXAASA-J

Synonyms

hexenoyl-CoA
(2E)-hexenoyl-CoA
trans-2-hexenoyl-CoA

Databases

MetaCyc: CPD0-2121

RefMet: 2E-hexenoyl-CoA

BiGG: hx2coa

ChEBI: 62077

PubChem (CID): 52921640

MetaboLights: MTBLC28706

HMDB: HMDB03944

LIPID MAPS: LMFA07050019

KEGG: C05271

Reactome: 77324

Seed: cpd03125

MetaNetX: MNXM753