Tretinoin

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Systematic / IUPAC Name: (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

ID: Reference1709

Other Names: (All-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid;
2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-;
3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid;
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid;
trans-Retinoic acid ; more

Formula: C20H28O2

Class: Endogenous Metabolites

Spectral Data

Tretinoin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 94
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/2/2014 9:14:31 AM
View Mass Spec Data > >

Identificators

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+
InChI Key SHGAZHPCJJPHSC-YCNIQYBTSA-N
Canonical SMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
CAS 302794
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Other Names (All-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid;
2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-;
3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid;
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid;
trans-Retinoic acid;
All-trans-retinoic acid;
Atra;
Retin-A;
Airol;
Dermairol;
Vesanoid;
Aberel;
Aknoten;
Eudyna;
Renova;
Aknefug;
Tretin M;
Epi-aberel;
Retin-A micro;
Vitamin A acid, all-trans-;
All-(E)-retinoic acid;
Atralin;
Retacnyl;
Retinoate;
Retinoic acid, all-trans-;
Atragen;
Retinova;
Vesnaroid;
Vitamin a acid, trans-;
All-trans-β-retinoic acid;
15-Apo-β-caroten-15-oic acid;
Retisol-A;
Stieva-A;
trans-Retinoate

In Other Databases

ChEBI CHEBI:15367
ChemIDPlus 000302794; 005300038; 013497057
PubChem 444795
DrugBank APRD00017
HMDb HMDB02369; HMDB01852
KEGG C00777; D00094; D02815
Wikipedia Tretinoin
ChEMBL CHEMBL38
ChemSpider 392618