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(Q28487679)
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English
12(13)-EpOME
chemical compound
(+/-)-12(13)-epoxy-9Z-octadecenoic acid
(9Z)-12,13-epoxyoctadecenoic acid
12,13-epoxy-9(Z)-octadecenoic acid
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic epoxide
0 references
octadecanoids
0 references
mass
296.235144884
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₂O₃
0 references
canonical SMILES
CCCCCC1OC1C\C=C/CCCCCCCC(O)=O
0 references
isomeric SMILES
CCCCCC1OC1C/C=C\CCCCCCCC(=O)O
1 reference
based on heuristic
inferred from InChI
found in taxon
Homo sapiens
1 reference
stated in
Recon 2.2: from reconstruction to model of human metabolism
Vernonia galamensis
1 reference
stated in
In vivo studies of the biosynthesis of vernolic acid in the seed of Vernonia galamensis
Identifiers
InChI
InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-
0 references
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
5356421
0 references
ChEBI ID
38299
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-
UniChem compound ID
1099994
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-ISAS_Dortmund-IA000055
1 reference
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000057
1 reference
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000229
1 reference
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000231
1 reference
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000436
1 reference
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000230
1 reference
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000438
1 reference
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000056
1 reference
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000437
1 reference
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID301017265
1 reference
matched by identifier from
InChIKey
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
Human Metabolome Database ID
HMDB0004702
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CCPPLLJZDQAOHD-FLIBITNWSA-N
LIPID MAPS ID
LMFA02000038
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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