Summary

IMPPAT Phytochemical identifier: IMPHY007437

Phytochemical name: Albizziin

Synonymous chemical names:
albizziin

External chemical identifiers:
CID:92891, ChEBI:6173, ZINC:ZINC000001531037, FDASRS:RW59AS48CR, SureChEMBL:SCHEMBL690347, MolPort-003-939-370

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Chemical structure information

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

InChI:
InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1

InChIKey:
GZYFIMLSHBLMKF-REOHCLBHSA-N

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

Functional groups:
CC(=O)O, CN, CNC(N)=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: 0.458

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Chemical structure download