Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014200

Phytochemical name: O-acetyl-L-homoserine

Synonymous chemical names:
o-ac-(¡à)-2-amino-4-hydroxybutanoic acid

External chemical identifiers:
CID:CID_439389, ChEBI:CHEBI:57716, ZINC:ZINC000001532838, SureChEMBL:SCHEMBL180571, MolPort-035-882-051

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Chemical structure information

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

InChI:
InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1

InChIKey:
FCXZBWSIAGGPCB-YFKPBYRVSA-N

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

Functional groups:
COC(C)=O, CC(=O)O, CN

Link to spectral information:
MSBNK-RIKEN-PR100306, MSBNK-RIKEN_ReSpect-PS065901, MSBNK-RIKEN_ReSpect-PS065902, MSBNK-RIKEN_ReSpect-PS065903, MSBNK-RIKEN_ReSpect-PS065904, MSBNK-RIKEN_ReSpect-PS065905

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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: 1.485

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Chemical structure download