5-hydroxythiophene-2-carbonyl-CoA

Chemical Formula:

C₂₆H₃₃N₇O₁₈P₃S₂

Molecular Weight:

888.624 Daltons

Monoisotopic Mass:

893.092758364 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(SC([O-])=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/C26H38N7O18P3S2/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-55-25(39)14-3-4-16(35)56-14)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(36)24(49-13)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-13,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-5/t13-,18-,19-,20+,24-/m1/s1

InChIKey:

NVBINDTXSDBAEW-ITIYDSSPSA-I

Synonyms

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

Databases

MetaCyc: 5-HYDROXYTHIOPHENE-2-CARBONYL-COA

ChEBI: 57358

PubChem (CID): 45266586 135887848

KEGG: C07348

Seed: cpd04551

MetaNetX: MNXM4397