Summary

IMPPAT Phytochemical identifier: IMPHY012518

Phytochemical name: Dencichin

Synonymous chemical names:
dencichin

External chemical identifiers:
CID:440259, ChEBI:16399, ZINC:ZINC000001529886, FDASRS:O8VT5BZ48B, SureChEMBL:SCHEMBL829989, MolPort-027-947-860

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Chemical structure information

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

InChI:
InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1

InChIKey:
NEEQFPMRODQIKX-REOHCLBHSA-N

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

Functional groups:
CC(=O)O, CN, CNC(=O)C(=O)O

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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: 0.666

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Chemical structure download