EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185453 - SCHEMBL6996017

ChEBI IDCHEBI:185453
ChEBI NameSCHEMBL6996017
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H9NO4
Net Charge0
Average Mass195.174
Monoisotopic Mass195.05316
SMILESCOc1ccc(C(=O)NC(=O)O)cc1
InChIInChI=1S/C9H9NO4/c1-14-7-4-2-6(3-5-7)8(11)10-9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKeyIXJBCIKVLSXQOX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
SCHEMBL6996017 (CHEBI:185453) is a benzoic acids (CHEBI:22723)
IUPAC Name 
(4-methoxybenzoyl)carbamic acid