Metabolomics Structure Database

 
MW REGNO: 38743
Common Name:Homoanserine
Systematic Name:(2S)-2-(4-aminobutanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
254.1379 (neutral)    Calculate m/z:
Formula:C11H18N4O3
InChIKey:HXBKNURIXGGFCX-VIFPVBQESA-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:Hybrid peptides [C0002010]
SMILES:Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCCN
Studies:-

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External database links:

PubChem CID:20849429
CHEBI ID:172495
HMDB ID:HMDB0005767
Chemspider ID:17216339
Plant Metabolite Hub(Pmhub):MS000064540

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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