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(Q74411266)
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English
13-cis-retinyl hexadecanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid ester
0 references
mass
524.45933116
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₃₆H₆₀O₂
0 references
canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C
0 references
Identifiers
InChI
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28-
0 references
InChIKey
VYGQUTWHTHXGQB-ILAPVCSWSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
13014096
1 reference
matched by identifier from
InChIKey
InChIKey
VYGQUTWHTHXGQB-ILAPVCSWSA-N
Reaxys registry number
3226709
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
138722
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28-
UniChem compound ID
96913682
1 reference
stated in
UniChem
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