Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003584

Phytochemical name: Norvaline

Synonymous chemical names:
norvaline, valine, nor

External chemical identifiers:
CID:CID_65098, ChEMBL:CHEMBL55612, ChEBI:CHEBI:58441, ZINC:ZINC000000391821, FDASRS:A70UKS48FE, SureChEMBL:SCHEMBL38405, MolPort-001-792-387

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Chemical structure information

SMILES:
CCC[C@@H](C(=O)O)N

InChI:
InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey:
SNDPXSYFESPGGJ-BYPYZUCNSA-N

DeepSMILES:
CCC[C@@H]C=O)O))N

Functional groups:
CC(=O)O, CN

Link to spectral information:
MSBNK-RIKEN-PR100171, MSBNK-RIKEN_ReSpect-PS028403, MSBNK-RIKEN_ReSpect-PS028402, MSBNK-RIKEN_ReSpect-PS028401, MSBNK-RIKEN_ReSpect-PS028404, MSBNK-RIKEN-PR100584, MSBNK-RIKEN-PR010065, MSBNK-Keio_Univ-KO003592, MSBNK-Keio_Univ-KO003595, MSBNK-Keio_Univ-KO003594, MSBNK-Keio_Univ-KO003593, MSBNK-Keio_Univ-KO001509, MSBNK-Keio_Univ-KO001508, MSBNK-Keio_Univ-KO001507, MSBNK-Keio_Univ-KO003596

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire 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: 1.158

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Chemical structure download