Summary

IMPPAT Phytochemical identifier: IMPHY001766

Phytochemical name: Linatine

Synonymous chemical names:
linatine

External chemical identifiers:
CID:160920, ChEBI:28004, FDASRS:HF0076XF4P, SureChEMBL:SCHEMBL298421

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Chemical structure information

SMILES:
O=C(NN1CCC[C@@H]1C(=O)O)CC[C@@H](C(=O)O)N

InChI:
InChI=1S/C10H17N3O5/c11-6(9(15)16)3-4-8(14)12-13-5-1-2-7(13)10(17)18/h6-7H,1-5,11H2,(H,12,14)(H,15,16)(H,17,18)/t6-,7+/m0/s1

InChIKey:
KWWHDNLMGLRNRN-NKWVEPMBSA-N

DeepSMILES:
O=CNNCCC[C@@H]5C=O)O))))))))CC[C@@H]C=O)O))N

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNC1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

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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: Dipeptides

NP-Likeness score: 0.102

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Chemical structure download