L-isoleucine

Chemical Formula:

C₆H₁₃NO₂

Molecular Weight:

131.174 Daltons

Monoisotopic Mass:

132.10245369880002 Daltons

SMILES:

CCC(C)C([N+])C(=O)[O-]

InChI:

1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

InChIKey:

AGPKZVBTJJNPAG-WHFBIAKZSA-N

Synonyms

Databases

MetaCyc: ILE

RefMet: Isoleucine

BiGG: ile__L

MetaboLights: MTBLC58045

HMDB: HMDB00172

ChEBI: 58045 17191

PubChem (CID): 7043901 6306

CAS: 73-32-5

KEGG: C00407

PupChem (SID): 3697

CHEMBL: CHEMBL1233584 CHEMBL1869615

KNApSAcK: C00001374

PDB-CCD: ILE

3DMET: B01236

NIKKAJI: J2.818E

MediaDB: compounds/14805/ compounds/390/

Seed: cpd00322

MetaNetX: MNXM231