Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67429
Common Name:	Bisindolylmaleimide i
Systematic Name:	3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
RefMet Name:	Bisindolylmaleimide i
Synonyms:	GF 109203X; Go 6850; GF109203X; GF-109203X [PubChem Synonyms]
Exact Mass:	412.1899 (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:	C25H24N4O2
InChIKey:	QMGUOJYZJKLOLH-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Indoles and derivatives [C0000211]
ClassyFire subclass:	N-alkylindoles [C0004197]
ClassyFire direct parent:	N-alkylindoles [C0004197]
SMILES:	CN(C)CCCn1cc(c2ccccc12)C1=C(c2c[nH]c3ccccc23)C(=O)NC1=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	2396
CHEBI ID:	229916
HMDB ID:	HMDB0249269
KEGG ID:	C11238
Plant Metabolite Hub(Pmhub):	MS000022183

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