Benzylsuccinyl-CoA
Molecular Formula:
C32H45N7O19P3S-
InChI: InChI=1/C32H46N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,16-17,19-20,24-26,30,43-44H,8-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-1/t19u,20-,24-,25-,26+,30-/m1/s1/fC32H45N7O19P3S/h34-35,47-48,50,52H,33H2/q-1
InChIKey: InChIKey=KIRGTNPWUTXDFF-XSAAOSRKDB
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)C(CC4=CC=CC=C4)CC(=O)[O-])O
Names:
Benzylsuccinyl-CoA
c0341
3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-4-phenyl-butanoate
Registries:
PubChem CID 9542997
PubChem ID 14709015
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