Summary

IMPPAT Phytochemical identifier: IMPHY002906

Phytochemical name: 4-Hydroxyisoleucine

Synonymous chemical names:
4-hydroxy-isoleucine, 4-hydroxyisoleucine

External chemical identifiers:
CID:2773624, ChEMBL:CHEMBL4101687, SureChEMBL:SCHEMBL52746, MolPort-008-155-393

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Chemical structure information

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

InChI:
InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4?,5-/m0/s1

InChIKey:
OSCCDBFHNMXNME-DSDZBIDZSA-N

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

Functional groups:
CC(=O)O, CN, CO

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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: 0.991

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Chemical structure download