4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA
Molecular Formula:
C31H46N7O20P3S
InChI: InChI=1/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)/t18?,20-,24-,25-,26?,30-/m1/s1/f/h33-34,46-47,49,51H,32H2
InChIKey: InChIKey=SDNPOBCYTJKZSD-ATOJYTMIDF
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C4=CC(=C(C=C4)O)OC)O)O
Names:
C07303
3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA
4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[3-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)propanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
Registries:
PubChem CID 441256
PubChem ID 9511
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