2-hydroxy-2-methylpropanoyl-CoA

Chemical Formula:

C₂₅H₃₈N₇O₁₈P₃S

Molecular Weight:

849.593 Daltons

Monoisotopic Mass:

853.1519878024 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(O)(C)C)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/C25H42N7O18P3S/c1-24(2,18(35)21(36)28-6-5-14(33)27-7-8-54-23(37)25(3,4)38)10-47-53(44,45)50-52(42,43)46-9-13-17(49-51(39,40)41)16(34)22(48-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,34-35,38H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13-,16-,17-,18+,22-/m1/s1

InChIKey:

FFVUICCDNWZCRC-ZSJPKINUSA-J

Synonyms

2-hydroxyisobutyryl-CoA
2-hydroxyisobutanoyl-CoA

Databases

MetaCyc: CPD-19040

ChEBI: 131780

PubChem (CID): 118987350

MetaNetX: MNXM162736

KEGG: C21287