4-hydroxy-3-methoxyphenyl-β-hydroxypropanoyl-CoA
Chemical Formula:
C31H42N7O20P3S
Molecular Weight:
957.689 Daltons
Monoisotopic Mass:
961.1731171749999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C=C(OC)C(O)=CC=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/C31H46N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)11-18(40)16-4-5-17(39)19(10-16)53-3)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/h4-5,10,14-15,18,20,24-26,30,39-40,43-44H,6-9,11-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-4/t18?,20-,24-,25-,26+,30-/m1/s1
InChIKey:
Synonyms
- 4-hydroxy-3-methoxyphenyl-3-hydroxypropionyl-CoA
- 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA
- 4-hydroxy-3-methoxyphenyl-β-hydroxypropionyl-CoA
Databases
MetaCyc:
CPD-11881
ChEBI:
58004
PubChem (CID):
45479648
KEGG:
C07303
Seed:
cpd04511
MetaNetX:
MNXM2077