1.0
2011-09-21 01:37:57 UTC
2015-07-21 06:59:22 UTC
FDB028323
all-trans-13,14-Dihydroretinol
All-trans-13,14-dihydroretinol is involved in the retinol metabolism pathway. In this pathway, all-trans-13,14-dihydroretinol and an acceptor molecule is reversibly converted to retinol (vitamin A) plus reduced acceptor via the enzyme all-trans-retinol 13,14-reductase (EC 1.3.99.23). (KEGG) [HMDB]
13,14-Dihydro-all-trans-retinol
13,14-dihydro-Retinol
13,14-Dihydroretinol
all-trans-13,14-Dihydroretinol
C20H32O
288.4675
288.245315646
(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-4,6,8-trien-1-ol
13,14-dihydroretinol
115797-14-3
CC(CCO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,17,21H,7,10,13-15H2,1-5H3/b9-6+,12-11+,16-8+
OVBOQVAIYMSUDT-HRYGCDPOSA-N
belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.
Retinoids
Organic compounds
Lipids and lipid-like molecules
Prenol lipids
Retinoids
Aliphatic homomonocyclic compounds
Diterpenoids
Fatty alcohols
Hydrocarbon derivatives
Primary alcohols
Alcohol
Aliphatic homomonocyclic compound
Diterpenoid
Fatty acyl
Fatty alcohol
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Primary alcohol
Retinoid skeleton
Retinoids
Retinoids
retinol
Solid
logp
6.11
logs
-4.66
solubility
6.34e-03 g/l
logp
4.94
pka_strongest_acidic
17.21
pka_strongest_basic
-1.8
iupac
(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-4,6,8-trien-1-ol
average_mass
288.4675
mono_mass
288.245315646
smiles
CC(CCO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
formula
C20H32O
inchi
InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,17,21H,7,10,13-15H2,1-5H3/b9-6+,12-11+,16-8+
inchikey
OVBOQVAIYMSUDT-HRYGCDPOSA-N
polar_surface_area
20.23
refractivity
97.23
polarizability
37.13
rotatable_bond_count
6
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Retinol Metabolism
SMP00074
map00830
Specdb::CMs
9438
Specdb::CMs
39722
Specdb::CMs
163796
Specdb::MsMs
286798
Specdb::MsMs
286799
Specdb::MsMs
286800
Specdb::MsMs
325501
Specdb::MsMs
325502
Specdb::MsMs
325503
Specdb::MsMs
2748046
Specdb::MsMs
2748047
Specdb::MsMs
2748048
Specdb::MsMs
2933508
Specdb::MsMs
2933509
Specdb::MsMs
2933510
HMDB11618
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823