input word = C00057388

Metabolite InformationStructural formula
Name 2-Pentene-1-carboxylic acid
Formula C6H10O2
Mw 114.06807956
CAS RN 4219-24-3
C_ID C00057388
InChIKey XXHDAWYDNSXJQM-ARJAWSKDSA-N
InChICode InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
SMILES CC/C=C/CC(O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRubus idaeus Ref.
PlantaeTheaceaeThea sinensis Ref.
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OrganismRubus idaeus
ReferenceAldrich Library of 13C and 1H FT NMR Spectra,1992, 1, 985A (nmr)