Summary

IMPPAT Phytochemical identifier: IMPHY005354

Phytochemical name: 4,5-Dihydroxy-1-methylpiperidine-2-carboxylic acid

Synonymous chemical names:
galbrin, glabrin

External chemical identifiers:
CID:161850, SureChEMBL:SCHEMBL4958739

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Chemical structure information

SMILES:
CN1CC(O)C(CC1C(=O)O)O

InChI:
InChI=1S/C7H13NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h4-6,9-10H,2-3H2,1H3,(H,11,12)

InChIKey:
VORPREYJNTUAGI-UHFFFAOYSA-N

DeepSMILES:
CNCCO)CCC6C=O)O))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

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-Likeness score: 1.076

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Chemical structure download