EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:89749 - Monomethyl phthalate

ChEBI IDCHEBI:89749
ChEBI NameMonomethyl phthalate
Stars
Last Modified16 July 2016
DownloadsMolfile
FormulaC9H8O4
Net Charge0
Average Mass180.159
Monoisotopic Mass180.04226
SMILESCOC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKeyFNJSWIPFHMKRAT-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (15995852)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Monomethyl phthalate (CHEBI:89749) is a methyl ester (CHEBI:25248)
Monomethyl phthalate (CHEBI:89749) is a phthalic acid monoester (CHEBI:132610)
Synonyms  Source
Methyl hydrogen phthalateHMDB
Monomethyl 1,2-benzenedicarboxylateHMDB
Methyl phthalateHMDB
O-(Methoxycarbonyl)benzoateHMDB
2-(Methoxycarbonyl)benzoateHMDB
2-(methoxycarbonyl)benzoic acidHMDB
Manual XrefsDatabases
D3Wikipedia
HMDB0002130HMDB
Registry NumbersSources
CAS:4376-18-5KEGG COMPOUND
Citations