Summary

IMPPAT Phytochemical identifier: IMPHY002924

Phytochemical name: L-2,4-Diaminobutyric acid dihydrochloride

Synonymous chemical names:
l-alpha,gamma-diaminobutyric-acid

External chemical identifiers:
CID:2724265, SureChEMBL:SCHEMBL318746, MolPort-001-766-373

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Chemical structure information

SMILES:
N[C@H](C(=O)O)CCN.Cl.Cl

InChI:
InChI=1S/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H/t3-;;/m0../s1

InChIKey:
CKAAWCHIBBNLOJ-QTNFYWBSSA-N

DeepSMILES:
N[C@H]C=O)O))CCN.Cl.Cl

Functional groups:
CC(=O)O, CN, Cl

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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: 1.272

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Chemical structure download