Summary

IMPPAT Phytochemical identifier: IMPHY008982

Phytochemical name: Α-phenylalanine

Synonymous chemical names:
α-phenylalanine

Chemical structure information

SMILES:
OC(=O)[C@@](c1ccccc1)(N)C

InChI:
InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m1/s1

InChIKey:
HTCSFFGLRQDZDE-SECBINFHSA-N

DeepSMILES:
OC=O)[C@@]cccccc6))))))N)C

Functional groups:
CC(=O)O, CN

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: 0.12

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Chemical structure download