ChEBI
  Marvin  12161116032D          

 24 24  0  0  0  0            999 V2000
    1.9402  -17.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402  -18.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2257  -17.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2257  -18.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113  -17.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113  -18.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557  -17.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750  -17.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0846  -17.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039  -17.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5134  -17.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2327  -17.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9423  -17.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6616  -17.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3711  -17.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0904  -17.6771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0748  -16.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9325  -16.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547  -18.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7633  -16.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6990  -16.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000  -17.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000  -16.4312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5144  -17.6687    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 22 16  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19  2  1  0  0  0  0
 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <ID>
CHEBI:63410

> <NAME>
all-trans-retinyl ester

> <DEFINITION>
A retintinyl ester in which all double bonds of the retinyl side-chain have trans-configuration.

> <STAR>
3

> <SYNONYM>
an all-trans-retinyl ester; all-trans-retinyl esters

> <FORMULA>
C21H29O2R

> <MASS>
313.45380

> <MONOISOTOPIC_MASS>
313.21676

> <CHARGE>
0

> <SMILES>
CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/COC([*])=O

> <KEGG_COMPOUND_ACCESSION>
C02075

> <METACYC_ACCESSION>
All-trans-Retinyl-Esters

> <PUBMED_CITATION>
12741839; 14529294; 14684738; 15929633; 16116091; 16262246; 17158416; 18474598; 19490105; 1951160; 31595490; 7115749; 7561157; 7581858; 8157860

$$$$