Metabolomics Structure Database

 
MW REGNO: 49612
Common Name:Hexamethylene bisacetamide
Systematic Name:N-{6-[(1-hydroxyethylidene)amino]hexyl}ethanimidic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
200.1525 (neutral)    Calculate m/z:
Formula:C10H20N2O2
InChIKey:BNQSTAOJRULKNX-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Carboxylic acid derivatives [C0001093]
ClassyFire direct parent:Acetamides [C0003922]
SMILES:CC(=NCCCCCCN=C(C)O)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:3616
HMDB ID:HMDB0041901
Chemspider ID:3490
Plant Metabolite Hub(Pmhub):MS000008187

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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