4-coumaroylacetyl-CoA
Chemical Formula:
C32H40N7O19P3S
Molecular Weight:
951.685 Daltons
Monoisotopic Mass:
955.1625524887 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C=CC1(C=CC(O)=CC=1))COP(=O)([O-])OP(=O)([O-])OCC2(C(OP(=O)([O-])[O-])C(O)C(O2)N4(C=NC3(C(N)=NC=NC=34)))
InChI:
1S/C32H44N7O19P3S/c1-32(2,27(45)30(46)35-10-9-22(42)34-11-12-62-23(43)13-20(41)8-5-18-3-6-19(40)7-4-18)15-55-61(52,53)58-60(50,51)54-14-21-26(57-59(47,48)49)25(44)31(56-21)39-17-38-24-28(33)36-16-37-29(24)39/h3-8,16-17,21,25-27,31,40,44-45H,9-15H2,1-2H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-4/b8-5+/t21-,25-,26-,27?,31-/m1/s1
InChIKey:
Synonyms
- p-coumaroyl-diketide-coenzyme A
- p-coumaroyl-diketide-CoA
- 4-coumaroyl-diketide-coenzyme A
- 4-coumaroyl-diketide-CoA
Databases
MetaCyc:
CPD-12184
ChEBI:
71211
KEGG:
C17740
Seed:
cpd17837
MetaNetX:
MNXM3684