3-hydroxyhexanoyl-coenzyme A

Molecular Formula: C27H46N7O18P3S


InChI: InChI=1/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16+,20+,21+,22-,26+/m0/s1/f/h29-30,41-42,44,46H,28H2

InChIKey: InChIKey=VAAHKRMGOFIORX-PUDFCYNVDF
SMILES: CCC[C@H](O)CC(=O)SCCNC(=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:28276
    (S)-Hydroxyhexanoyl-CoA
    (S)-3-Hydroxyhexanoyl-CoA
    (S)-3-hydroxyhexanoyl-CoA
    3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexanoyl]sulfanyl
    3-hydroxyhexanoyl-coenzyme A
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-[(3S)-3-hydroxyhexanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966160
    ChEBI 28276
    Kegg C05268
    PubChem ID 7655
    PubChem ID 8144368