Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008639

Phytochemical name: Amino-hydroxy-heptynoic acid

Synonymous chemical names:
amino-hydroxy-heptynoic acid, 4-amino-4-hydroxyhept-2-ynoic acid

External chemical identifiers:
CID:CID_129829533

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Chemical structure information

SMILES:
CCCC(C#CC(=O)O)(O)N

InChI:
InChI=1S/C7H11NO3/c1-2-4-7(8,11)5-3-6(9)10/h11H,2,4,8H2,1H3,(H,9,10)

InChIKey:
QAYCIFHQZNMOJD-UHFFFAOYSA-N

DeepSMILES:
CCCCC#CC=O)O))))O)N

Functional groups:
CC(N)(O)C#CC(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Medium-chain hydroxy acids and derivatives

NP-Likeness score: 0.76

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Chemical structure download