Preferred Name

isotretinoin

Synonyms

(2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid

isotretinoinum

13-RA

isotretinoina

isotretinoine

Neovitamin A acid

cis-RA

(7E,9E,11E,13Z)-retinoic acid

isotretinoin

13-cis-Vitamin A acid

Amnesteem

13-cis-retinoic acid

Claravis

Accutane

isotretinoino

Definitions

A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.

ID

http://purl.obolibrary.org/obo/CHEBI_6067

charge

0

database_cross_reference

Drug_Central:1508

Patent:US4556518

PMID:9807973

LIPID_MAPS_instance:LMPR01090021

Wikipedia:Isotretinoin

Beilstein:1885770

PMID:18788179

DrugBank:DB00982

PMID:15304471

Patent:EP111325

PMID:23676507

PMID:18077132

PMID:20482692

Reaxys:1885770

KEGG:D00348

CAS:4759-48-2

PMID:11606947

PMID:19568610

PMID:11866680

HMDB:HMDB0006219

definition

A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.

formula

C20H28O2

has exact synonym

(2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid

has role

http://purl.obolibrary.org/obo/CHEBI_50905

http://purl.obolibrary.org/obo/CHEBI_35610

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

has_obo_namespace

chebi_ontology

has_related_synonym

isotretinoinum

13-RA

isotretinoina

isotretinoine

Neovitamin A acid

cis-RA

(7E,9E,11E,13Z)-retinoic acid

isotretinoin

13-cis-Vitamin A acid

Amnesteem

13-cis-retinoic acid

Claravis

Accutane

isotretinoino

id

CHEBI:6067

in_subset

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

inchi

InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-

inchikey

SHGAZHPCJJPHSC-XFYACQKRSA-N

is conjugate acid of

http://purl.obolibrary.org/obo/CHEBI_169952

label

isotretinoin

mass

300.43512

monoisotopicmass

300.20893

notation

CHEBI:6067

prefLabel

isotretinoin

smiles

CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(O)=O

subClassOf

http://purl.obolibrary.org/obo/CHEBI_26536

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Delete Mapping To Ontology Source
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