Metabolomics Structure Database
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MW REGNO: | 204315 |
Common Name: | gamma-CEHC glucuronide |
Systematic Name: | (2S,3S,4S,5R,6S)-6-[2-(2-carboxyethyl)-2,7,8-trimethyl-chroman-6-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
Synonyms: | gamma-CEHC beta-D-glucuronide [PubChem Synonyms] |
Exact Mass: | |
Formula: | C21H28O10 |
InChIKey: | NOZSTAZEOBPSBY-LWNJIDTBSA-N |
SMILES: | Cc1c(C)c2c(CCC(C)(CCC(=O)O)O2)cc1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O |
Studies: | Available studies(via PubChem CID) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 121596235 |
CHEBI ID: | 133148 |
HMDB ID: | HMDB0242175 |
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