Isohexenyl-glutaconyl-CoA
Molecular Formula:
C32H49N7O19P3S-
InChI: InChI=1/C32H50N7O19P3S/c1-18(2)6-5-7-19(12-22(41)42)13-23(43)62-11-10-34-21(40)8-9-35-30(46)27(45)32(3,4)15-55-61(52,53)58-60(50,51)54-14-20-26(57-59(47,48)49)25(44)31(56-20)39-17-38-24-28(33)36-16-37-29(24)39/h6,13,16-17,20,25-27,31,44-45H,5,7-12,14-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-1/b19-13+/t20-,25-,26-,27-,31-/m1/s1/fC32H49N7O19P3S/h34-35,47-48,50,52H,33H2/q-1
InChIKey: InChIKey=BVEJAKPMABGOEE-SIIAWECBDS
SMILES: CC(=CCCC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)CC(=O)[O-])C
Names:
c1033
Isohexenyl-glutaconyl-CoA
(3E)-3-[2-[3-[[(2S)-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]ethylsulfanylcarbonylmethylidene]-7-methyl-oct-6-enoate
Registries:
PubChem CID 9549321
PubChem ID 14720405
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