All trans retinal

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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-tetraenal

ID: Reference1836

Other Names: All-trans-retinal;
Retinaldehyde;
Vitamin A aldehyde;
Retinene;
Axerophthal ; more

Formula: C20H28O

Class: Endogenous Metabolites

Spectral Data

All trans retinal 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 392
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/7/2015 11:23:08 AM
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Identificators

InChI InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChI Key NCYCYZXNIZJOKI-OVSJKPMPSA-N
Canonical SMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
CAS 116314
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Other Names All-trans-retinal;
Retinaldehyde;
Vitamin A aldehyde;
Retinene;
Axerophthal;
trans-Retinal;
All-trans-retinaldehyde;
Retinene 1;
All-trans-vitamin A aldehyde;
Vitamin A1 aldehyde;
All-trans-retinene;
Retinal, all-trans-;
Retinyl aldehyde;
Tocopherol, α;
trans-Vitamin A aldehyde;
α-Retinene;
Retinal, 9-cis-;
13-cis-Retinal;
Retinal, 13-cis-;
ε-Retinal;
All-ε-retinal;
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenal

In Other Databases

PubChem 638015
ChemIDPlus 000116314
ChemSpider 553582
KEGG C00376
ChEMBL CHEMBL81379
ChEBI CHEBI:17898
HMDb HMDB01358; HMDB06218
Wikipedia Retinal