Summary

IMPPAT Phytochemical identifier: IMPHY002241

Phytochemical name: (2S,4S)-2-amino-5-(carbamoylamino)-4-hydroxypentanoic acid

Synonymous chemical names:
4-hydroxycitrulline

External chemical identifiers:
CID:101413035, ZINC:ZINC000014446142

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Chemical structure information

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

InChI:
InChI=1S/C6H13N3O4/c7-4(5(11)12)1-3(10)2-9-6(8)13/h3-4,10H,1-2,7H2,(H,11,12)(H3,8,9,13)/t3-,4-/m0/s1

InChIKey:
WSFLFFUIEVIDJY-IMJSIDKUSA-N

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

Functional groups:
CC(=O)O, CN, CNC(N)=O, 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: 0.59

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Chemical structure download