5-hydroxypentanoyl-CoA

Chemical Formula:

C₂₆H₄₀N₇O₁₈P₃S

Molecular Weight:

863.619 Daltons

Monoisotopic Mass:

867.1676378666 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

InChI:

1S/C26H44N7O18P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-10-55-17(36)5-3-4-9-34)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,34,37-38H,3-12H2,1-2H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t15-,19-,20-,21+,25-/m1/s1

InChIKey:

AMSWDUXCNHIVFP-ZMHDXICWSA-J

Synonyms

5-hydroxyvaleryl-CoA
δ-hydroxypentanoyl-CoA
δ-hydroxyvaleryl-CoA
ω-hydroxyvaleryl-CoA
ω-hydroxypentanoyl-CoA

Databases

MetaCyc: 5-HYDROXYPENTANOYL-COA

RefMet: 5-hydroxypentanoyl-CoA

PubChem (CID): 44123527

ChEBI: 57357

KEGG: C03237

Seed: cpd02072

MetaNetX: MNXM4396