6'-hydroxy-trans-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)=CC(O)=1))COP(=O)(OP(=O)(OCC2(OC(C(C2OP([O-])(=O)[O-])O)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
InChI:
1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)5-4-16-10-19(53-3)18(40)11-17(16)39)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23-27(32)35-14-36-28(23)38/h4-5,10-11,14-15,20,24-26,30,39-40,43-44H,6-9,12-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-4/b5-4+/t20-,24-,25-,26+,30-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-13328
PubChem (CID):
52940197
Seed:
cpd23836
MetaNetX:
MNXM10353
KEGG:
C21459