trans-Dec-2-enoyl-CoA

Molecular Formula: C31H52N7O17P3S


InChI: InChI=1/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+/t20-,24-,25-,26?,30-/m1/s1/f/h33-34,44-45,47,49H,32H2

InChIKey: InChIKey=MGNBGCRQQFMNBM-KPRMVBIJDJ
SMILES: CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(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:
    C05275
    trans-Dec-2-enoyl-CoA
    trans-dec-2-enoyl-CoA
    trans-2-decenoyl-coenzyme A
    (2E)-Decenoyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[(E)-dec-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 5280768
    ChEBI 10723
    Kegg C05275
    PubChem ID 7662