Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013439

Phytochemical name: cis-4-Hydroxy-L-proline

Synonymous chemical names:
l-allohydroxyproline, cis-4-hydroxy-l-proline

External chemical identifiers:
CID:CID_440015, ChEMBL:CHEMBL1233477, ChEBI:CHEBI:63727, ZINC:ZINC000000901736, FDASRS:43V78B6A3B, SureChEMBL:SCHEMBL19307, MolPort-003-936-869

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Chemical structure information

SMILES:
O[C@@H]1CN[C@@H](C1)C(=O)O

InChI:
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1

InChIKey:
PMMYEEVYMWASQN-IMJSIDKUSA-N

DeepSMILES:
O[C@@H]CN[C@@H]C5)C=O)O

Functional groups:
CO, CNC, CC(=O)O

Link to spectral information:
MSBNK-NAIST-KNA00298, MSBNK-NAIST-KNA00697, MSBNK-RIKEN-PR010075, MSBNK-NAIST-KNA00297, MSBNK-NAIST-KNA00698, MSBNK-NAIST-KNA00296, MSBNK-NAIST-KNA00696, MSBNK-NAIST-KNA00037, MSBNK-Keio_Univ-KO003067, MSBNK-Keio_Univ-KO003066, MSBNK-NAIST-KNA00040, MSBNK-Keio_Univ-KO003065, MSBNK-Keio_Univ-KO003064, MSBNK-Keio_Univ-KO003063

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNC1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

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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: 1.414

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Chemical structure download