trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA

Molecular Formula: C₃₁H₅₀N₇O₁₇P₃S

InChI: InChI=1/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8+/t20-,23-,24-,25+,29-/m1/s1/f/h33-34,44-45,47,49H,32H2

InChIKey: InChIKey=MPYXOYHSKAAPLW-AULQMKTLDW
SMILES: CC(C)C(=C)CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

Names:
    c0886
    trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-[2-[(E)-2,6-dimethyl-5-methylidene-hept-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 9543312
    PubChem ID 14709801