input word = C00029462

Metabolite InformationStructural formula
Name Isobutyric acid
2-Methylpropanoic acid
Formula C4H8O2
Mw 88.0524295
CAS RN 79-31-2
C_ID C00029462 ,
InChIKey KQNPFQTWMSNSAP-UHFFFAOYSA-N
InChICode InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
SMILES CC(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Serum) Ref.
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeBoraginaceaeLithospermum erythrorhizon Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeRubiaceaeCoffea arabica Ref.
--FOOD SAKE Ref.
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