input word = C00001189

Metabolite InformationStructural formula
Name 3-Methylbutanoic acid
3-Methylbutyric acid
Isovaleric acid
Formula C5H10O2
Mw 102.06807956
CAS RN 503-74-2
C_ID C00001189 ,
InChIKey GWYFCOCPABKNJV-UHFFFAOYSA-N
InChICode InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
SMILES CC(CC(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Skin) Ref.
AnimaliaHominidaeHomo sapiens (Skin microbiota) Ref.
BacteriaStaphylococcaceaeStaphylococcus aureus Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeAsteraceaeAchillea millefolium Ref.
PlantaeAsteraceaeArctium lappa Ref.
PlantaeAsteraceaeCarthamus tinctorius Ref.
PlantaeAsteraceaeCentaurea orientalis Ref.
PlantaeBoraginaceaeLithospermum erythrorhizon Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCelastraceaeEuonymus japonicus Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeLabiataeElsholtzia ciliata Ref.
PlantaeLauraceaeLitsea cubeba Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaePlantaginaceaePlantago lanceolata Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeSaxifragaceaeSaxifraga stolonifera Meerb. Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeValerianaceaeNardostachys chinensis Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana spp. Ref.
--Delphinus delphis Ref.
--FOOD SAKE Ref.
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OrganismCarica papaya
Referencehttps://doi.org/10.1021/jf60209a051