feruloylacetyl-CoA

Chemical Formula:

C₃₃H₄₂N₇O₂₀P₃S

Molecular Weight:

981.711 Daltons

Monoisotopic Mass:

985.1731171749999 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C=CC1(C=CC(O)=C(OC)C=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/C33H46N7O20P3S/c1-33(2,28(46)31(47)36-9-8-23(43)35-10-11-64-24(44)13-19(41)6-4-18-5-7-20(42)21(12-18)55-3)15-57-63(53,54)60-62(51,52)56-14-22-27(59-61(48,49)50)26(45)32(58-22)40-17-39-25-29(34)37-16-38-30(25)40/h4-7,12,16-17,22,26-28,32,42,45-46H,8-11,13-15H2,1-3H3,(H,35,43)(H,36,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/p-4/b6-4+/t22-,26-,27-,28+,32-/m1/s1

InChIKey:

KBVPPTKWCRMUEW-KEJNSVKLSA-J

Synonyms

feruloyl-diketide-CoA

Databases

MetaCyc: CPD-12180

KEGG: C17741

ChEBI: 71236

PubChem (CID): 46173441

Seed: cpd17838

MetaNetX: MNXM3991