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- ChemComp-SEM: O-benzyl-L-serine -

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Basic information

EntryDatabase: PDB chemical components / ID: SEM
NameName: O-benzyl-L-serine / Synonyms: (2S)-2-azanyl-3-phenylmethoxy-propanoic acid

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Chemical information

Composition
Formula: C10H13NO3 / Number of atoms: 27 / Formula weight: 195.215 / Formal charge: 0
Others

1the

SER

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: S / Three letter code: SEM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1THE / Parent comp.: SER
History
Create componentJul 8, 1999
Other modificationJan 14, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(O)C(N)COCc1ccccc1
CACTVS 3.370N[CH](COCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)COCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.370N[C@@H](COCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)COC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03IDGQXGPQOGUGIX-VIFPVBQESA-N

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SYSTEMATIC NAME

ACDLabs 12.01O-benzyl-L-serine
OpenEye OEToolkits 1.7.0(2S)-2-azanyl-3-phenylmethoxy-propanoic acid

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PDB entries

Showing all 1 items

PDB-6bi1:
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (2R)-2-amino-3-(benzyloxy)propan-1-ol

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