3-hydroxy-3-methylbutyl coenzyme A

Molecular Formula: C26H46N7O17P3S


InChI: InChI=1/C26H46N7O17P3S/c1-25(2,20(36)23(37)29-7-5-16(34)28-8-10-54-9-6-26(3,4)38)12-47-53(44,45)50-52(42,43)46-11-15-19(49-51(39,40)41)18(35)24(48-15)33-14-32-17-21(27)30-13-31-22(17)33/h13-15,18-20,24,35-36,38H,5-12H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20+,24-/m1/s1/f/h28-29,39-40,42,44H,27H2

InChIKey: InChIKey=WARAAVQLBVQAKL-ZPUOUCSUDY
SMILES: CC(C)(O)CCSCCNC(=O)CCNC(=O)[C@H](O)C(C)(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

Names:
    CHEBI:27874
    3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-methylbutyl)sulfanyl]ethyl
    3-Hydroxyisopentyl coenzyme A
    3-Hydroxyisopentyl-CoA
    3-hydroxy-3-methylbutyl coenzyme A
    3-hydroxy-3-methylbutyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-(3-hydroxy-3-methyl-butyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966168
    ChEBI 27874
    Kegg C05997
    PubChem ID 17425027
    PubChem ID 8271