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(Q76303104)
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English
(5E,9E,12E)-octadeca-5,9,12-trienoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
278.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₀O₂
0 references
canonical SMILES
O=C(O)CCCC=CCCC=CCC=CCCCCC
0 references
isomeric SMILES
CCCCC/C=C/C/C=C/CC/C=C/CCCC(=O)O
0 references
found in taxon
Pinus koraiensis
2 references
stated in
Influence of Korean pine (Pinus koraiensis)-seed oil containing cis-5,cis-9,cis-12-octadecatrienoic acid on polyunsaturated fatty acid metabolism, eicosanoid production and blood pressure of rats
stated in
Simple complementary liquid chromatography and mass spectrometry approaches for the characterization of triacylglycerols in Pinus koraiensis seed oil
Identifiers
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6+,10-9+,14-13+
0 references
InChIKey
HXQHFNIKBKZGRP-JRVLCRGASA-N
0 references
PubChem CID
5312493
1 reference
matched by identifier from
InChIKey
InChIKey
HXQHFNIKBKZGRP-JRVLCRGASA-N
ChEBI ID
180172
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6+,10-9+,14-13+
SureChEMBL ID
SCHEMBL367338
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HXQHFNIKBKZGRP-JRVLCRGASA-N
SCHEMBL367339
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HXQHFNIKBKZGRP-JRVLCRGASA-N
UniChem compound ID
33478793
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA01030342
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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