Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	55328
Common Name:	Dipyrromethane
Systematic Name:	di(1H-pyrrol-2-yl)methane
Synonyms:	2,2'-dipyrrolylmethane; 2,2'-methylenebis(1H-pyrrole); 5,10-dihydrodipyrrin; di-2-pyrrolylmethane; dipyrromethane; dipyrrylmethane; pyrromethane [PubChem Synonyms]
Exact Mass:	146.0844 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C9H10N2
InChIKey:	PBTPREHATAFBEN-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pyrroles [C0000090]
ClassyFire subclass:	Substituted pyrroles [C0002257]
ClassyFire direct parent:	Substituted pyrroles [C0002257]
SMILES:	c1cc(Cc2ccc[nH]2)[nH]c1
Studies:	-

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PubChem CID:	140814
CHEBI ID:	36319

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