input word = C00029462

Metabolite InformationStructural formula
Name 2-Methylpropanoic acid
Isobutyric 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.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeBoraginaceaeLithospermum erythrorhizon Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
--Caffea sp. Ref.
--FOOD SAKE Ref.
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