trans-feruloyl-CoA

<i>trans</i>-feruloyl-CoA




Chemical Formula:
C31H40N7O19P3S
Molecular Weight:
939.674 Daltons
Monoisotopic Mass:
943.1625524887 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(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/C31H44N7O19P3S/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/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/b7-5+/t20-,24-,25-,26+,30-/m1/s1
InChIKey:
GBXZVJQQDAJGSO-NBXNMEGSSA-J

Synonyms
  • feruloyl-CoA
  • 4-Hydroxy-3-methoxycinnamoyl-CoA
  • (E)-3-(4-Hydroxy-3-methoxyphenyl)propenoyl-CoA

Databases
MetaCyc:  FERULOYL-COA
RefMet:  trans-feruloyl-CoA
ChEBI:  57276 15511
PubChem (CID):  44229137
KEGG:  C00406
NIKKAJI:  J641.607A
PupChem (SID):  3696
Seed:  cpd00321
MetaNetX:  MNXM406
KNApSAcK:  C00007264