Metabolomics Structure Database
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MW REGNO: | 69918 |
Common Name: | Heme |
Systematic Name: | ferrous;3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-7,12-divinyl-porphyrin-21,23-diid-2-yl]propanoic acid |
RefMet Name: | Heme |
Synonyms: | Haem; 85758-EP2270016A1; 85758-EP2270505A1; 85758-EP2305243A1; 85758-EP2305825A1 [PubChem Synonyms] |
Exact Mass: | |
Formula: | C34H32FeN4O4 |
InChIKey: | KABFMIBPWCXCRK-RGGAHWMASA-L |
ClassyFire superclass: | Organoheterocyclic compounds [C0000002] |
ClassyFire class: | Tetrapyrroles and derivatives [C0001455] |
ClassyFire subclass: | Metallotetrapyrroles [C0001926] |
ClassyFire direct parent: | Metalloporphyrins [C0000452] |
SMILES: | C=Cc1c(C)c2/C=C/C(=C(CCC(=O)O)C(=N3)/C=c/c(CCC(=O)O)c(C)/c(=C/C4=N/C(=Cc1[n-]2)/C(=C4C=C)C)/[n-]3)C.[Fe+2] |
Studies: | Available studies (via RefMet name) |
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Human Pathway links:
HMDB and KEGG pathways containing this metabolite
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