4-hydroxycrotonyl-CoA

Chemical Formula:

C₂₅H₃₆N₇O₁₈P₃S

Molecular Weight:

847.577 Daltons

Monoisotopic Mass:

851.1363377382 Daltons

SMILES:

CC(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C(C(=O)NCCC(NCCSC(C=CCO)=O)=O)O)C

InChI:

1S/C25H40N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h3-4,12-14,18-20,24,33,36-37H,5-11H2,1-2H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/b4-3+/t14-,18-,19-,20?,24-/m1/s1

InChIKey:

FQFRDDVZPBFYST-STMKCBHISA-J

Databases

MetaCyc: OH-CROTONYL-COA

PubChem (CID): 126961114 138319218

Seed: cpd27703

MetaNetX: MNXM65411