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tazarotenic acid

PropertiesImage
MNX_IDMNXM161412 Image of MNXM161412
referencechebi:73129
formulaC19H17NO2S
global charge0
mol weight323.417
InChIKeyIQIBKLWBVJPOQO-UHFFFAOYSA-N
InChIInChI=1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)
SMILESCC1(C)CCSC2=C1C=C(C#CC1=NC=C(C(=O)O)C=C1)C=C2
MNX internals
InChI (mnx)InChI=1/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22) Image of MNXM161412
SMILES (mnx)[CH3:1][C:19]1([CH3:2])[CH2:9][CH2:10][S:23][C:17]2=[C:16]1[CH:11]=[C:13]([C:3]#[C:6][C:15]1=[N:20][CH:12]=[C:14]([C:18](=[O:21])[OH:22])[CH:5]=[CH:7]1)[CH:4]=[CH:8]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:73129
chebi:73129
IQIBKLWBVJPOQO-UHFFFAOYSA-N 		tazarotenic acid
6-((3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl)-3-pyridinecarboxylic acid
6-(2-(4,4-dimethylthiochroman-6-yl)ethynyl)nicotinic acid
6-[(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]nicotinic acid
AGN 190299
AGN-190299
Agn 190299

sabiork.compound:30586
sabiorkM:30586
IQIBKLWBVJPOQO-UHFFFAOYSA-N 		Tazarotenic acid
hmdb:HMDB0060619
IQIBKLWBVJPOQO-UHFFFAOYSA-N 		Tazarotenic acid
6-((3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl)-3-pyridinecarboxylate
6-((3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl)-3-pyridinecarboxylic acid
6-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]pyridine-3-carboxylic acid
6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]pyridine-3-carboxylic acid
AGN 190299
AGN-190299
Tazarotenate

kegg.compound:C21518
keggC:C21518
IQIBKLWBVJPOQO-UHFFFAOYSA-N 		Tazarotenic acid
AGN 190299

hmdb:HMDB60619
keggC:M_C21518 		secondary/obsolete/fantasy identifier