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

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amfenac

	Properties	Image
MNX_ID	MNXM152176
reference	chebi:75915
formula	C₁₅H₁₃NO₃
global charge	0
mol weight	255.273
InChIKey	SOYCMDCMZDHQFP-UHFFFAOYSA-N
InChI	InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)
SMILES	NC1=C(C(=O)C2=CC=CC=C2)C=CC=C1CC(=O)O

MNX internals

InChI (mnx)	InChI=1/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)
SMILES (mnx)	[CH:1]1=[CH:2][CH:5]=[C:10]([C:15]([C:12]2=[CH:8][CH:4]=[CH:7][C:11]([CH2:9][C:13](=[O:17])[OH:18])=[C:14]2[NH2:16])=[O:19])[CH:6]=[CH:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-25197 metacycM:CPD-25197 CHEBI:75915 chebi:75915 SOYCMDCMZDHQFP-UHFFFAOYSA-M SOYCMDCMZDHQFP-UHFFFAOYSA-N	amfenac (2-Amino-3-benzoylphenyl)essigsaeure (2-amino-3-benzoylphenyl)acetic acid 2-amino-3-benzoylbenzeneacetic acid amfenaco amfenacum
kegg.drug:D07443 keggD:D07443 SOYCMDCMZDHQFP-UHFFFAOYSA-N	Amfenac (INN)
hmdb:HMDB0248289 SOYCMDCMZDHQFP-UHFFFAOYSA-N	Amfenac (2-Amino-3-benzoylphenyl)essigsaeure 2-(2-amino-3-benzoylphenyl)acetic acid 2-Amino-3-benzoylbenzeneacetate 2-Amino-3-benzoylbenzeneacetic acid 2-Amino-3-benzoylbenzeneacetic acid, monosodium salt, monohydrate Amfenac calcium salt (2:1) Amfenac monosodium salt Amfenac sodium Amfenaco Amfenacum amfenac
CHEBI:75917 chebi:75917 SOYCMDCMZDHQFP-UHFFFAOYSA-M	amfenac(1-) (2-amino-3-benzoylphenyl)acetate
keggD:M_D07443	secondary/obsolete/fantasy identifier