trans,cis-2,6-laurodienoyl-coenzyme A

Molecular Formula: C33H54N7O17P3S


InChI: InChI=1/C33H54N7O17P3S/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/h8-9,12-13,20-22,26-28,32,43-44H,4-7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,13-12+/t22-,26-,27-,28+,32-/m1/s1/f/h35-36,46-47,49,51H,34H2

InChIKey: InChIKey=BNPQDIKRZDRREL-WIVZBBCSDE
SMILES: CCCCC\C=C/CC\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:28387
    trans,cis-Lauro-2,6-dienoyl-CoA
    trans,cis-2,6-laurodienoyl-coenzyme A
    (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA
    3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,6Z)-dodeca-2,6-dienoyl]sulfanyl
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-[2-[(2E,6Z)-dodeca-2,6-dienoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966194
    ChEBI 28387
    Kegg C05279
    PubChem ID 7666
    PubChem ID 8144356