6-hydroxycyclohex-1-ene-1-carbonyl-CoA

Chemical Formula:

C₂₈H₄₀N₇O₁₈P₃S

Molecular Weight:

887.641 Daltons

Monoisotopic Mass:

891.1676378666 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(O)CCCC=1))COP(=O)(OP(=O)(OCC2(OC(C(C2OP([O-])(=O)[O-])O)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]

InChI:

1S/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,16-17,20-22,26,36,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t16?,17-,20-,21-,22+,26-/m1/s1

InChIKey:

WBCJUEJWJADAGR-CRVKRRNDSA-J

Synonyms

6-hydroxycyclohex-1-enecarbonyl-CoA
6-hydroxycyclohex-1-ene-1-carboxyl-CoA

Databases

MetaCyc: 6-HYDROXYCYCLOHEX-1-ENE-1-CARBONYL-COA

HMDB: HMDB12179

ChEBI: 57361

PubChem (CID): 45266590

KEGG: C06749

Seed: cpd04130

MetaNetX: MNXM2792