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CHEBI:228410 - QMH

ChEBI IDCHEBI:228410
ChEBI NameQMH
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27NO4
Net Charge0
Average Mass321.417
Monoisotopic Mass321.19401
SMILESCCCCCCOc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C18H27NO4/c1-4-5-6-7-12-23-15-10-8-14(9-11-15)17(20)19-16(13(2)3)18(21)22/h8-11,13,16H,4-7,12H2,1-3H3,(H,19,20)(H,21,22)/t16-/m0/s1
InChIKeyICRSRJPPVADSGE-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
QMH (CHEBI:228410) has functional parent N-benzoylglycine (CHEBI:18089)
QMH (CHEBI:228410) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
(2S)-2-[(4-hexoxybenzoyl)amino]-3-methylbutanoic acid
Manual XrefsDatabases
QMHPDBeChem
69885378ChemSpider