Metabolomics Structure Database
|
MW REGNO: | 55012 |
Common Name: | Diheptyl phthalate |
Systematic Name: | diheptyl benzene-1,2-dicarboxylate |
RefMet Name: | Diheptyl phthalate |
Synonyms: | 1,2-Benzenedicarboxylic acid diheptyl ester; DHPP; Di-n-Heptylphthalate; Di-n-heptyl phthalate; Heptyl phthalate; Phthalic acid diheptyl ester [PubChem Synonyms] |
Exact Mass: | |
Formula: | C22H34O4 |
InChIKey: | JQCXWCOOWVGKMT-UHFFFAOYSA-N |
ClassyFire superclass: | Benzenoids [C0002448] |
ClassyFire class: | Benzene and substituted derivatives [C0002279] |
ClassyFire subclass: | Benzoic acids and derivatives [C0000176] |
ClassyFire direct parent: | Benzoic acid esters [C0001350] |
SMILES: | CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 19284 |
CHEBI ID: | 34677 |
HMDB ID: | HMDB0251285 |
EPA CompTox DB: | DTXCID608662 |
Plant Metabolite Hub(Pmhub): | MS000002414 |
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