Ketcher 07282109492D 1   1.00000     0.00000     0

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  3  2  2  0     0  0
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M  END
> <ID>
CHEBI:17336

> <NAME>
all-trans-retinol

> <DEFINITION>
A retinol in which all four exocyclic double bonds have E- (trans-) geometry.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:8816; CHEBI:12783; CHEBI:22349

> <SYNONYM>
vitamin A1 alcohol; vitamin A1; Vitamin A1; vitamin A alcohol; vitamin A; trans-retinol; retinol (vit A); all-trans-vitamin A alcohol; all-trans-vitamin A; all-trans-retinyl alcohol; all-trans-retinol; all-trans-Retinol; all-trans retinol; (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol; (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol

> <IUPAC_NAME>
all-trans-retinol

> <INN>
retinolum; retinol; retinol; retinol

> <BRAND_NAME>
Chocola A; Aquasol A; Alphalin

> <FORMULA>
C20H30O

> <MASS>
286.459

> <MONOISOTOPIC_MASS>
286.22967

> <CHARGE>
0

> <SMILES>
C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C

> <INCHI>
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

> <INCHIKEY>
FPIPGXGPPPQFEQ-OVSJKPMPSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
403040

> <CAS_REGISTRY_NUMBER>
68-26-8

> <GMELIN_REGISTRY_NUMBER>
247497

> <CHEMIDPLUS>
68-26-8

> <DRUGBANK_ACCESSION>
DB00162

> <KEGG_COMPOUND_ACCESSION>
C00473

> <KEGG_DRUG_ACCESSION>
D06543

> <KNAPSACK_ACCESSION>
C00031437

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR01090001

> <METACYC_ACCESSION>
CPD-13524

> <NIST_CHEMISTRY_WEBBOOK>
68-26-8

> <PDBECHEM_ACCESSION>
RTL

> <WIKIPEDIA_ACCESSION>
Retinol

> <PUBMED_CITATION>
10637381; 12074187; 12221269; 12229281; 12548314; 12600856; 1414975; 15041701; 15051608; 15531678; 15622799; 15929633; 16469975; 16507353; 16825693; 17790232; 19264891; 20697621; 2217163; 22444309; 2295828; 25478840; 30510477; 31484771; 7971717; 8464067; 8496140; 9155646; 9736606

$$$$