(3,5-dihydroxyphenyl)acetyl-CoA
Chemical Formula:
C29H38N7O19P3S
Molecular Weight:
913.636 Daltons
Monoisotopic Mass:
917.1469024244999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC1(C=C(O)C=C(O)C=1))=O)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/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-4-3-19(39)31-5-6-59-20(40)9-15-7-16(37)10-17(38)8-15)12-52-58(49,50)55-57(47,48)51-11-18-23(54-56(44,45)46)22(41)28(53-18)36-14-35-21-25(30)33-13-34-26(21)36/h7-8,10,13-14,18,22-24,28,37-38,41-42H,3-6,9,11-12H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-4/t18-,22-,23-,24+,28-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-17515
ChEBI:
84554
PubChem (CID):
86583510
Seed:
cpd09095
MetaNetX:
MNXM6776
KEGG:
C12324