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

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sulindac

	Properties	Image
MNX_ID	MNXM740212
reference	chebi:9352
formula	C₂₀H₁₇FO₃S
global charge	0
mol weight	356.418
InChIKey	MLKXDPUZXIRXEP-MFOYZWKCSA-N
InChI	InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
SMILES	CC1=C(CC(=O)O)C2=C(C=CC(F)=C2)/C1=C\C1=CC=C(S(C)=O)C=C1

MNX internals

InChI (mnx)	InChI=1/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25?
SMILES (mnx)	[CH3:1][C:12]1=[C:18]([CH2:11][C:20](=[O:22])[OH:23])[C:19]2=[C:16]([CH:8]=[CH:5][C:14]([F:21])=[CH:10]2)/[C:17]1=[CH:9]\[C:13]1=[CH:4][CH:7]=[C:15]([S:25]([CH3:2])=[O:24])[CH:6]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9352 chebi:9352 MLKXDPUZXIRXEP-MFOYZWKCSA-N	sulindac (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid Clinoril Sulindac Sulindacum cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic acid sulindaco {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid
seed.compound:cpd01081 seedM:cpd01081 sabiork.compound:5643 sabiorkM:5643 kegg.compound:C01531 keggC:C01531 MLKXDPUZXIRXEP-MFOYZWKCSA-M MLKXDPUZXIRXEP-MFOYZWKCSA-N	Sulindac
kegg.drug:D00120 keggD:D00120 MLKXDPUZXIRXEP-MFOYZWKCSA-N	Sulindac (JP18/USP/INN) Clinoril (TN)
hmdb:HMDB0014743 MLKXDPUZXIRXEP-MFOYZWKCSA-N	Sulindac (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetate (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid (Z)-5-Fluoro-2-methyl-1-((p-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetate (Z)-5-Fluoro-2-methyl-1-((p-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid 2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid Aclin Alphapharm brand OF sulindac Apo sulin Apo-sulin Apotex brand OF sulindac Arthrobid Arthrocine Cahill may roberts brand OF sulindac Chemia brand OF sulindac Chibret Clinoril Copal Kenalin Kendrick brand OF sulindac Klinoril Merck brand OF sulindac Merck sharp and dohme brand OF sulindac Novo sundac Novo-sundac Novopharm brand OF sulindac Nu pharm brand OF sulindac Nu sulindac Nu-pharm brand OF sulindac Nu-sulindac Sulindaco Sulindacum Sulindal cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetate cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid cis-5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetate cis-5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetate cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic acid cis-5-Fluoro-2-methyl-1-((p-methylsulphinyl)benzylidene)indene-3-acetate cis-5-Fluoro-2-methyl-1-((p-methylsulphinyl)benzylidene)indene-3-acetic acid sulindac
metacyc.compound:CPD0-2556 metacycM:CPD0-2556 MLKXDPUZXIRXEP-MFOYZWKCSA-M	sulindac
hmdb:HMDB14743 keggC:M_C01531 keggD:M_D00120 seedM:M_cpd01081	secondary/obsolete/fantasy identifier