trans-Hexadec-2-enoyl-CoA

Molecular Formula: C38H66N7O17P3S


InChI: InChI=1/C38H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h17-18,25-27,31-33,37,48-49H,4-16,19-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/b18-17+/t27-,31-,32-,33+,37-/m1/s1/f/h40-41,51-52,54,56H,39H2

InChIKey: InChIKey=YDHQUKOTPYJJSE-VCRMJFPUDZ
SMILES: CCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[[email protected]](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[[email protected]]1O[[email protected]]([[email protected]](O)[[email protected]@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23

Names:
    CHEBI:28935
    trans-Hexadec-2-enoyl-CoA
    trans-2-Hexadecenoyl-CoA
    (E)-hexadec-2-enoyl-CoA
    (2E)-Hexadecenoyl-CoA
    3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hexadec-2-enoyl]sulfanyl
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-[2-[(E)-heptadec-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 11966201
    ChEBI 28935
    Kegg C05272
    PubChem ID 7659
    PubChem ID 8144904