InCHi String:
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
canonical and isomeric SMILES: CC(C)CC(=O)O
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME3-methylbutanoic acid
PUBCHEM iupac TRADITIONAL NAME3-methylbutyric acid
PubChem Substance (SID):
85165168 10524371 26713228PubChem Compound (CID):
10430KEGG: Compound ID n/a
CAS Registry IDs: 503-74-2 92634-50-9
PDB Chemical Component
IVAMiscellaneous Databases and IDs:
Sigma-Aldrich 129542_ALDRICH
ChEBI CHEBI:28484 ChemIDplus 092634509
ChemSpider 11670395
MMDB 57741.3
NMRShiftDB 10018374
CambridgeSoft Corporation 5305
LipidMAPS LMFA01020181
NIST Chemistry WebBook 1848049450
MMCD cq_04956
MDL MFCD00002726
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
