Summary

IMPPAT Phytochemical identifier: IMPHY014252

Phytochemical name: L-tyrosine betaine

Synonymous chemical names:
maokhine(l-tyrosine betaine)

External chemical identifiers:
CID:12877783, ChEBI:126352

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Chemical structure information

SMILES:
[O-]C(=O)[C@@H]([N+](C)(C)C)Cc1ccc(cc1)O

InChI:
InChI=1S/C12H17NO3/c1-13(2,3)11(12(15)16)8-9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H-,14,15,16)/t11-/m0/s1

InChIKey:
KDVBLCRQNNLSIV-NSHDSACASA-N

DeepSMILES:
[O-]C=O)[C@@H][N+]C)C)C))Ccccccc6))O

Functional groups:
CC(=O)[O-], C[N+](C)(C)C, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: 0.753

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Chemical structure download