Summary

IMPPAT Phytochemical identifier: IMPHY004502

Phytochemical name: (2S,4S)-Pinnatanine

Synonymous chemical names:
(2s, 4s)-pinnatanine

External chemical identifiers:
CID:53467538, ChEBI:143049

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Chemical structure information

SMILES:
OC/C(=C/NC(=O)C(CC(C(=O)O)N)O)/C=C

InChI:
InChI=1S/C10H16N2O5/c1-2-6(5-13)4-12-9(15)8(14)3-7(11)10(16)17/h2,4,7-8,13-14H,1,3,5,11H2,(H,12,15)(H,16,17)/b6-4+

InChIKey:
VYDAYIZJJUOQMT-GQCTYLIASA-N

DeepSMILES:
OC/C=C/NC=O)CCCC=O)O))N)))O)))))/C=C

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

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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: 1.971

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Chemical structure download