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(Q74411283)
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English
all-trans-retinyl octanoate
chemical compound
retinyl octanoate
vitamin A octanoate
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Statements
instance of
type of chemical entity
0 references
subclass of
vitamin A
0 references
mass
412.334130648
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₈H₄₄O₂
0 references
canonical SMILES
CCCCCCCC(=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
CCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
0 references
Identifiers
InChI
InChI=1S/C28H44O2/c1-7-8-9-10-11-17-27(29)30-22-20-24(3)15-12-14-23(2)18-19-26-25(4)16-13-21-28(26,5)6/h12,14-15,18-20H,7-11,13,16-17,21-22H2,1-6H3/b15-12+,19-18+,23-14+,24-20+
0 references
InChIKey
AWGMQQGZWRIUJI-UBMBPVGBSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
5352717
1 reference
matched by identifier from
InChIKey
InChIKey
AWGMQQGZWRIUJI-UBMBPVGBSA-N
ChEBI ID
140084
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H44O2/c1-7-8-9-10-11-17-27(29)30-22-20-24(3)15-12-14-23(2)18-19-26-25(4)16-13-21-28(26,5)6/h12,14-15,18-20H,7-11,13,16-17,21-22H2,1-6H3/b15-12+,19-18+,23-14+,24-20+
SureChEMBL ID
SCHEMBL2008702
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AWGMQQGZWRIUJI-UBMBPVGBSA-N
UniChem compound ID
33365376
1 reference
stated in
UniChem
SwissLipids ID
SLM:000598105
1 reference
matched by identifier from
InChIKey
InChIKey
AWGMQQGZWRIUJI-UBMBPVGBSA-N
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