loading...| Preferred Name | 9-cis-retinoic acid | |
| Synonyms |
alitretinoina alitretinoine 9-cis-Tretinoin alitretinoinum 9(Z)-Retinoic acid (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid (7E,9Z,11E,13E)-retinoic acid Alitretinoin Panretin (9cis)-retinoic acid |
|
| Definitions |
A retinoic acid in which the exocyclic double bonds have 7E,9Z,11E,13E geometry. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50648 |
|
| alternative label |
alitretinoina alitretinoine 9-cis-Tretinoin alitretinoinum 9(Z)-Retinoic acid (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid (7E,9Z,11E,13E)-retinoic acid Alitretinoin Panretin (9cis)-retinoic acid |
|
| charge |
0 |
|
| database_cross_reference |
PMID:12611604 PMID:15519497 HMDB:HMDB0002369 PMID:16144296 KEGG:D02815 PMID:15217968 KEGG:C15493 PMID:17019405 PMID:19678713 PMID:18404486 PMID:18400206 Reaxys:2057222 PMID:11978340 PMID:12882648 CAS:5300-03-8 PMID:10684759 Wikipedia:Alitretinoin Drug_Central:3862 DrugBank:DB00523 PMID:15292987 LIPID_MAPS_instance:LMPR01090022 PMID:7670094 |
|
| definition |
A retinoic acid in which the exocyclic double bonds have 7E,9Z,11E,13E geometry. |
|
| formula |
C20H28O2 |
|
| has exact synonym |
(9cis)-retinoic acid |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_alternative_id |
CHEBI:63793 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
alitretinoina alitretinoine 9-cis-Tretinoin alitretinoinum 9(Z)-Retinoic acid (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid (7E,9Z,11E,13E)-retinoic acid Alitretinoin Panretin |
|
| has_RxCUI |
81864 |
|
| id |
CHEBI:50648 |
|
| in_subset | ||
| 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-ZVCIMWCZSA-N |
|
| is conjugate acid of | ||
| label |
9-cis-retinoic acid |
|
| mass |
300.43512 |
|
| monoisotopicmass |
300.20893 |
|
| notation |
CHEBI:50648 |
|
| prefLabel |
9-cis-retinoic acid |
|
| smiles |
CC(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(O)=O |
|
| subClassOf |