MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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ketoprofen

	Properties	Image
MNX_ID	MNXM156993
reference	chebi:6128
formula	C₁₆H₁₄O₃
global charge	0
mol weight	254.285
InChIKey	DKYWVDODHFEZIM-UHFFFAOYSA-N
InChI	InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
SMILES	CC(C(=O)O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1

MNX internals

InChI (mnx)	InChI=1/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11?
SMILES (mnx)	[CH3:1][CH:11]([C:13]1=[CH:10][C:14]([C:15]([C:12]2=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]2)=[O:17])=[CH:9][CH:5]=[CH:8]1)[C:16](=[O:18])[OH:19]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:6128 chebi:6128 DKYWVDODHFEZIM-UHFFFAOYSA-N	ketoprofen 2-(3-Benzoylphenyl)propionic acid 2-(3-benzoylphenyl)propanoic acid 3-Benzoyl-alpha-methylbenzeneacetic acid 3-Benzoylhydratropic acid Ketoprofen L'Acide (benzoyl-3-phenyl)-2-propionique Orudis (TN) m-Benzoylhydratropic acid
envipath:...ec11793872ee envipathM:...ec11793872ee seed.compound:cpd01181 seedM:cpd01181 sabiork.compound:5749 sabiorkM:5749 kegg.compound:C01716 keggC:C01716 DKYWVDODHFEZIM-UHFFFAOYSA-M DKYWVDODHFEZIM-UHFFFAOYSA-N	Ketoprofen
vmhM:kprofen vmhmetabolite:kprofen DKYWVDODHFEZIM-UHFFFAOYSA-M	Ketoprofen (2-(3-Benzoylphenyl)Propionic Acid) 2-(3-benzoylphenyl)propanoic acid
kegg.drug:D00132 keggD:D00132 DKYWVDODHFEZIM-UHFFFAOYSA-N	Ketoprofen (JP18/USP/INN) Orudis (TN)
hmdb:HMDB0015144 DKYWVDODHFEZIM-UHFFFAOYSA-N	Ketoprofen 2-(3-Benzoylphenyl)propionate 2-(3-Benzoylphenyl)propionic acid 2-(3-benzoylphenyl)propanoic acid 3-Benzoyl-a-methylbenzeneacetate 3-Benzoyl-a-methylbenzeneacetic acid 3-Benzoyl-alpha-methylbenzeneacetate 3-Benzoyl-alpha-methylbenzeneacetic acid 3-Benzoylhydratropate 3-Benzoylhydratropic acid Alrheumat Alrheumum Benzoylhydratropic acid L'acide (benzoyl-3-phenyl)-2-propionique Orudis Profenid ketoprofen m-Benzoylhydratropate m-Benzoylhydratropic acid
envipath:...8b68f6c026ad envipathM:...8b68f6c026ad envipath:...90de267d31f1 envipathM:...90de267d31f1 envipath:...0eec009a176a envipathM:...0eec009a176a envipath:...f7487635c841 envipathM:...f7487635c841 DKYWVDODHFEZIM-UHFFFAOYSA-N	compound 0061817
metacyc.compound:CPD-25125 metacycM:CPD-25125 DKYWVDODHFEZIM-UHFFFAOYSA-M	ketoprofen 2-(3-Benzoylphenyl)propionic acid 2-(3-benzoylphenyl)propanoic acid 3-Benzoyl-alpha-methylbenzeneacetic acid 3-Benzoylhydratropic acid L'Acide (benzoyl-3-phenyl)-2-propionique Orudis (TN) m-Benzoylhydratropic acid
hmdb:HMDB15144 keggC:M_C01716 keggD:M_D00132 seedM:M_cpd01181 vmhM:M_kprofen	secondary/obsolete/fantasy identifier