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Neuroscience Information Framework (NIF) Standard Ontology
Last uploaded:
February 10, 2018
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| 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 |
|
| alternative label |
9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
|
|
| 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 | ||
| 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
|
|
| note |
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.
|
|
| preferred label |
acitretin
|
|
| prefLabel |
acitretin
|
|
| smiles |
[H]C(=CC(C)=CC(O)=O)C=C(C)C=C([H])c1c(C)cc(OC)c(C)c1C
|
|
| subClassOf |
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