5-hydroxy-feruloyl-CoA
Chemical Formula:
C31H40N7O20P3S
Molecular Weight:
955.673 Daltons
Monoisotopic Mass:
959.1574671108 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=C(O)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/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-4/b5-4+/t19-,24-,25-,26+,30-/m1/s1
InChIKey:
Databases
MetaCyc:
5-HYDROXY-FERULOYL-COA
ChEBI:
31136
PubChem (CID):
44229078
KEGG:
C12203
Seed:
cpd08983
MetaNetX:
MNXM3188