Metabolomics Structure Database

 
MW REGNO: 47363
Common Name:1-Aminocyclopropanecarboxylic acid
Systematic Name:1-aminocyclopropane-1-carboxylic acid
RefMet Name:1-Aminocyclopropanecarboxylic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
101.0477 (neutral)    Calculate m/z:
Formula:C4H7NO2
InChIKey:PAJPWUMXBYXFCZ-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Alpha amino acids [C0002404]
Massbank MS spectra:View MS spectra
SMILES:C1CC1(C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:535
CHEBI ID:18053
HMDB ID:HMDB0036458
KEGG ID:C01234
Chemspider ID:520
MetaCyc ID:CPD-68
Plant Metabolite Hub(Pmhub):MS000008469

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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