Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID005393
Phytochemical name: L-canavanine
Synonymous chemical names:canavanin, canavanine
External chemical identifiers:CID:CID_439202, ChEMBL:CHEMBL443732, ChEBI:CHEBI:609827, ZINC:ZINC000003869452, FDASRS:3HZV514J4B, SureChEMBL:SCHEMBL151097
Chemical structure information
SMILES:
OC(=O)[C@H](CCON=C(N)N)NInChI:
InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1InChIKey:
FSBIGDSBMBYOPN-VKHMYHEASA-NDeepSMILES:
OC=O)[C@H]CCON=CN)N))))))NFunctional groups:
CC(=O)O, CON=C(N)N, CNLink to spectral information:
MSBNK-RIKEN_ReSpect-PS126407, MSBNK-RIKEN_ReSpect-PS126403, MSBNK-RIKEN_ReSpect-PS126402, MSBNK-Keio_Univ-KO002596, MSBNK-Keio_Univ-KO002595, MSBNK-Keio_Univ-KO002594, MSBNK-RIKEN_ReSpect-PS126401, MSBNK-Keio_Univ-KO002592, MSBNK-Keio_Univ-KO000494, MSBNK-Keio_Univ-KO000493, MSBNK-Keio_Univ-KO000492, MSBNK-Keio_Univ-KO000491, MSBNK-Keio_Univ-KO000490, MSBNK-Keio_Univ-KO002593
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic acids and derivativesClassyFire Class: Carboxylic acids and derivatives
ClassyFire Subclass: Amino acids, peptides, and analogues
NP Classifier Biosynthetic pathway: Amino acids and Peptides
NP Classifier Superclass: Small peptides
NP Classifier Class: Aminoacids
NP-Likeness score: 0.791
Chemical structure download
