trans-Dodec-2-enoyl-CoA

Molecular Formula: C₃₃H₅₆N₇O₁₇P₃S

InChI: InChI=1/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28+,32-/m1/s1/f/h35-36,46-47,49,51H,34H2

InChIKey: InChIKey=IRFYVBULXZMEDE-XXNIVUPJDG
SMILES: CCCCCCCCC\C=C\C(=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:15471
    trans-Dodec-2-enoyl-CoA
    trans-dodec-2-enoyl-CoA
    (2E)-Dodecenoyl-CoA
    (2E)-Dodec-2-enoyl-CoA
    2-trans-Dodecenoyl-CoA
    2-trans-dodecenoyl-CoA
    2-trans-Dodecenoyl-CoA
    3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-[2-[(E)-dodec-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966110
    ChEBI 15471
    Kegg C03221
    PubChem ID 6094
    PubChem ID 8143198