Summary

IMPPAT Phytochemical identifier: IMPHY012244

Phytochemical name: O-benzyl-L-serine

Synonymous chemical names:
o-benzyl-l-serine

External chemical identifiers:
CID:78457, ZINC:ZINC000000086010, SureChEMBL:SCHEMBL185608, MolPort-002-915-554

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Chemical structure information

SMILES:
N[C@H](C(=O)O)COCc1ccccc1

InChI:
InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

InChIKey:
IDGQXGPQOGUGIX-VIFPVBQESA-N

DeepSMILES:
N[C@H]C=O)O))COCcccccc6

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

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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, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.005

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Chemical structure download