Metabolomics Structure Database

 
MW REGNO: 41456
Common Name:3-Methylene-indolenine
Systematic Name:3-methylidene-3H-indole
Synonyms: [PubChem Synonyms]
Exact Mass:
129.0578 (neutral)    Calculate m/z:
Formula:C9H7N
InChIKey:BCNUXXXHEIUHJB-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Indoles and derivatives [C0000211]
ClassyFire subclass:Indoles and derivatives [C0000211]
ClassyFire direct parent:Aromatic heteropolycyclic compounds
SMILES:C=C1C=Nc2ccccc12
Studies:-

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Human Pathway links:

REACTOME pathways containing this metabolite

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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