Preferred Name

acitretin

Synonyms

9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

Definitions

A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9.

ID

http://purl.obolibrary.org/obo/CHEBI_50172

charge

0

database_cross_reference

LINCS:LSM-5713

Reaxys:15057225

CAS:54757-46-9

definition

A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9.

formula

C21H26O3

has_exact_synonym

9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

has_obo_namespace

chebi_ontology

id

CHEBI:50172

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)

inchikey

IHUNBGSDBOWDMA-UHFFFAOYSA-N

label

acitretin

mass

326.42934

monoisotopicmass

326.18819

notation

CHEBI:50172

prefLabel

acitretin

smiles

[H]C(=CC(C)=CC(O)=O)C=C(C)C=C([H])c1c(C)cc(OC)c(C)c1C

treeView

http://purl.obolibrary.org/obo/CHEBI_26537

subClassOf

http://purl.obolibrary.org/obo/CHEBI_26537

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http://purl.obolibrary.org/obo/CHEBI_50172 PDRO SAME_URI
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http://purl.obolibrary.org/obo/CHEBI_50172 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50172 NIFSTD SAME_URI
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http://purl.bioontology.org/ontology/MESH/D017255 MESH LOOM
https://go.drugbank.com/drugs/DB00459 MDM LOOM
http://www.drugbank.ca/drugs/DB00459 FTC LOOM
http://www.co-ode.org/ontologies/galen#Acitretin GALEN LOOM
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http://purl.obolibrary.org/obo/DRON_00013468 ODNAE LOOM