# pubchem

name: SCHEMBL12305746
iupac_name: (2S,3S,5R)-3,4,4,5-tetradeuterio(412C,2,3,5-13C3,115N)azolidine-2-carboxylic acid
inchikey: ONIBWKKTOPOVIA-QQTTXZKSSA-N
inchikey1: ONIBWKKTOPOVIA
inchikey2: QQTTXZKSSA
inchikey3: N
molecular_formula: C5H9NO2
smiles_canonical: C1CC(NC1)C(=O)O
inchi:
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+0D2,2+1D,3+1D,4+1,5+1,6+1/t2-,3+,4-


iupac_name: (2S)-3,4,4,5-tetradeuterio(412C,2,3,5-13C3,115N)azolidine-2-carboxylic acid
inchikey: ONIBWKKTOPOVIA-QSBWZAQZSA-N
inchikey1: ONIBWKKTOPOVIA
inchikey2: QSBWZAQZSA
inchikey3: N
molecular_formula: C5H9NO2
smiles_canonical: C1CC(NC1)C(=O)O
inchi:
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+0D2,2+1D,3+1D,4+1,5+1,6+1/t2?,3?,4-


name: SCHEMBL12305778
iupac_name: (2S,3S)-3,4,5,5-tetradeuterio(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
inchikey: ONIBWKKTOPOVIA-XQRIOMIJSA-N
inchikey1: ONIBWKKTOPOVIA
inchikey2: XQRIOMIJSA
inchikey3: N
molecular_formula: C5H9NO2
smiles_canonical: C1CC(NC1)C(=O)O
inchi:
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1D,2+1D,3+1D2,4+1,5+1,6+1/t1?,2-,4-


iupac_name: (2S)-3,4,5,5-tetradeuterio(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
inchikey: ONIBWKKTOPOVIA-ZYXKZDFDSA-N
inchikey1: ONIBWKKTOPOVIA
inchikey2: ZYXKZDFDSA
inchikey3: N
molecular_formula: C5H9NO2
smiles_canonical: C1CC(NC1)C(=O)O
inchi:
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1D,2+1D,3+1D2,4+1,5+1,6+1/t1?,2?,4-


# kegg

inchikey: MWFMGBPGAXYFAR-UHFFFAOYSA-N
kegg_cid: C02659
name: Acetone cyanohydrin
molecular_formula: C4H7NO
exact_mass: 85.0528
chebi_id: 15348
other_names:
Acetone cyanohydrin; alpha-Hydroxyisobutyronitrile; 2-Hydroxy-2-methylpropanenitrile; 2-Methyllactonitrile; Acetone cyanhydrin; 2-Hydroxyisobutyronitrile


