Succinyl-coenzyme A

Molecular Formula: C25H40N7O19P3S


InChI: InChI=1/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1/f/h27-28,34,40-41,43,45H,26H2

InChIKey: InChIKey=VNOYUJKHFWYWIR-RIHFVUIRDN
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O

CAS number 604-98-8

Names:
    Coenzyme A, S-(hydrogen butanedioate)
    Succinyl coenzyme A
    Succinyl-CoA
    succinyl-CoA
    Succinyl-CoA
    succinyl-CoA
    SUCCINYL-COENZYME A
    Succinyl-coenzyme A
    S-(Hydrogen succinyl)coenzyme A
    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]propanoic acid

Registries:
    PubChem CID 92133
    CAS 604-98-8 (from NIST)
    ChEBI 15380
    chemPDB SCA
    Kegg C00091
    PubChem ID 10225203
    PubChem ID 3391
    UM-BBD c0344