Preferred Name

etretinate

Synonyms

ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate

3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonanetetraenoic acid ethyl ester

etretinato

Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate

etretinatum

Ethyl (all-E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate

etretinate

ID

http://purl.obolibrary.org/obo/CHEBI_4913

charge

0

database_cross_reference

Wikipedia:Etretinate

CAS:54350-48-0

DrugBank:DB00926

Patent:US4215215

Drug_Central:1116

Patent:US4105681

Patent:DE2414619

Beilstein:2225606

LIPID_MAPS_instance:LMPR01090046

KEGG:D00316

formula

C23H30O3

has role

http://purl.obolibrary.org/obo/CHEBI_50176

has_exact_synonym

ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate

has_obo_namespace

chebi_ontology

has_related_synonym

3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonanetetraenoic acid ethyl ester

etretinato

Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate

etretinatum

Ethyl (all-E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate

etretinate

id

CHEBI:4913

in_subset

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

inchi

InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+

inchikey

HQMNCQVAMBCHCO-DJRRULDNSA-N

label

etretinate

mass

354.48250

monoisotopicmass

354.21949

notation

CHEBI:4913

prefLabel

etretinate

smiles

CCOC(=O)\C=C(C)\C=C\C=C(C)\C=C\c1c(C)cc(OC)c(C)c1C

treeView

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

http://purl.obolibrary.org/obo/CHEBI_51702

http://purl.obolibrary.org/obo/CHEBI_23990

subClassOf

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

http://purl.obolibrary.org/obo/CHEBI_51702

http://purl.obolibrary.org/obo/CHEBI_23990

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http://www.phoc.org.cn/pmo/class/PMO_00016675 PMAPP-PMO LOOM