input word = C00048949

Metabolite InformationStructural formula
Name 3-Methyl-butanal
Isovaleraldehyde
3-Methylbutanal
3-methylbutanal
Formula C5H10O
Mw 86.07316494
CAS RN 590-86-3
C_ID C00048949 ,
InChIKey YGHRJJRRZDOVPD-UHFFFAOYSA-N
InChICode InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
SMILES C(CC=O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Exhaled breath) Ref.
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCeratophyllaceaeCeratophyllum demersum Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCucurbitaceaeCitrullus vulgaris Ref.
PlantaeFabaceaeSophora japonica Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeOleaceaeOlea europaea Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
--Caffea sp. Ref.
--FOOD SAKE Ref.
--Tuber borchii Ref.
--Tuber brumale Ref.
--Tuber excavatum Ref.
--Tuber indicum Ref.
--Tuber magnatum Ref.
--Tuber melanosporum Ref.
--Tuber mesentericum Ref.
--Tuber oligospermum Ref.
--Tuber panniferum Ref.
--Tuber rufum Ref.
--Tuber uncinatum Ref.
zoom in



OrganismHomo sapiens (Exhaled breath)
ReferenceTuberculosis (2007) 87, 44_52