3,4-dihydroxyphenylacetyl-CoA
Chemical Formula:
C29H38N7O19P3S
Molecular Weight:
913.636 Daltons
Monoisotopic Mass:
917.1469024244999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(NCCSC(CC1(C=C(O)C(O)=CC=1))=O)=O)COP(=O)(OP(=O)(OCC2(OC(C(C2OP([O-])(=O)[O-])O)N4(C=NC3(C(N)=NC=NC=34))))[O-])[O-]
InChI:
1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-6-5-19(39)31-7-8-59-20(40)10-15-3-4-16(37)17(38)9-15)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/h3-4,9,13-14,18,22-24,28,37-38,41-42H,5-8,10-12H2,1-2H3,(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:
34-DIHYDROXYPHENYLACETYL-COA
PubChem (CID):
25203531
Seed:
cpd22085
MetaNetX:
MNXM14479