6-hydroxy-3-hexenoyl-CoA

Chemical Formula:

C₂₇H₄₀N₇O₁₈P₃S

Molecular Weight:

875.63 Daltons

Monoisotopic Mass:

879.1676378666 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC=CCCO)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/C27H44N7O18P3S/c1-27(2,22(39)25(40)30-8-7-17(36)29-9-11-56-18(37)6-4-3-5-10-35)13-49-55(46,47)52-54(44,45)48-12-16-21(51-53(41,42)43)20(38)26(50-16)34-15-33-19-23(28)31-14-32-24(19)34/h3-4,14-16,20-22,26,35,38-39H,5-13H2,1-2H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/b4-3-/t16-,20-,21-,22+,26-/m1/s1

InChIKey:

HZHMFZAKYSAIGU-YINSCCIPSA-J

Synonyms

6-hydroxy-3-hexenoyl-coenzyme A
6-hydroxyhex-3-enoyl-coenzyme A

Databases

MetaCyc: 6-HYDROXY-3-HEXENOYL-COA

PubChem (CID): 90658755

ChEBI: 49281