thiophene-2-carbonyl-CoA

Chemical Formula:

C₂₆H₃₄N₇O₁₇P₃S₂

Molecular Weight:

873.633 Daltons

Monoisotopic Mass:

877.0978437419 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(SC=CC=1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]

InChI:

1S/C26H38N7O17P3S2/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)15-4-3-8-54-15)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(35)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-14,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t14-,18-,19-,20+,24-/m1/s1

InChIKey:

APTYNAZODMUFPO-CITAKDKDSA-J

Synonyms

[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(2-thienylcarbonylsulfanyl) ethylcarbamoyl]ethylcarbamoyl]propoxy]-phosphinoyl]oxy- phosphinoyl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid

Databases

MetaCyc: THIOPHENE-2-CARBONYL-COA

ChEBI: 57395

PubChem (CID): 45266615

KEGG: C07347

Seed: cpd04550

MetaNetX: MNXM4846