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(Q76286186)
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English
(6E,9E,12E)-hexadeca-6,9,12-trienoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
250.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₆O₂
0 references
canonical SMILES
O=C(O)CCCCC=CCC=CCC=CCCC
0 references
isomeric SMILES
CCC/C=C/C/C=C/C/C=C/CCCCC(=O)O
0 references
found in taxon
Skeletonema costatum
1 reference
stated in
New birth-control aldehydes from the marine diatom Skeletonema costatum: characterization and biogenesis
Identifiers
InChI
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)/b5-4+,8-7+,11-10+
0 references
InChIKey
SBEXLJDCZSJDLW-JSIPCRQOSA-N
0 references
PubChem CID
5282811
1 reference
matched by identifier from
InChIKey
InChIKey
SBEXLJDCZSJDLW-JSIPCRQOSA-N
ChEBI ID
165478
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)/b5-4+,8-7+,11-10+
SureChEMBL ID
SCHEMBL3314685
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SBEXLJDCZSJDLW-JSIPCRQOSA-N
UniChem compound ID
49145799
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA01030136
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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