dihydroferuloyl-CoA

Chemical Formula:

C₃₁H₄₂N₇O₁₉P₃S

Molecular Weight:

941.69 Daltons

Monoisotopic Mass:

945.1782025529 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C=C(OC)C(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]

InChI:

1S/C31H46N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4,6,12,15-16,20,24-26,30,39,42-43H,5,7-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t20-,24-,25-,26+,30-/m1/s1

InChIKey:

JUUQGRDBWMTHDA-HSJNEKGZSA-J

Synonyms

3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA

Databases

MetaCyc: CPD-21181

ChEBI: 140640

PubChem (CID): 134160357