Summary

IMPPAT Phytochemical identifier: IMPHY014629

Phytochemical name: trans-4-Hydroxymethyl-D-proline

Synonymous chemical names:
trans-4-hydroxymethyl-d-proline

External chemical identifiers:
CID:129630377

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Chemical structure information

SMILES:
[2H]C([C@H]1CN[C@@H](C1)C(=O)O)O

InChI:
InChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1/i3D/t3?,4-,5+

InChIKey:
CISMGNUPDUKNQK-IBIYWZRHSA-N

DeepSMILES:
[2H]C[C@H]CN[C@@H]C5)C=O)O))))))O

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

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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: 1.048

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Chemical structure download