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(Q82862277)
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trans-13-octadecenoic acid
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
1 reference
inferred from
fatty acid
mass
282.255880328
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₄O₂
0 references
canonical SMILES
O=C(O)CCCCCCCCCCCC=CCCCC
0 references
isomeric SMILES
CCCC/C=C/CCCCCCCCCCCC(=O)O
0 references
found in taxon
Lonicera japonica
1 reference
stated in
Profiling and characterization of volatile components from non-fumigated and sulfur-fumigated Flos Lonicerae Japonicae using comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry coupled with chemical group separation
Identifiers
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+
0 references
InChIKey
BDLLSHRIFPDGQB-AATRIKPKSA-N
0 references
CAS Registry Number
693-71-0
1 reference
InChIKey
BDLLSHRIFPDGQB-AATRIKPKSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=693-71-0
PubChem CID
6161490
1 reference
matched by identifier from
InChIKey
InChIKey
BDLLSHRIFPDGQB-AATRIKPKSA-N
ChEBI ID
143770
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+
SureChEMBL ID
SCHEMBL2320463
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BDLLSHRIFPDGQB-AATRIKPKSA-N
SCHEMBL2320468
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BDLLSHRIFPDGQB-AATRIKPKSA-N
UniChem compound ID
32008201
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60880901
1 reference
matched by identifier from
InChIKey
InChIKey
BDLLSHRIFPDGQB-AATRIKPKSA-N
DSSTOX compound identifier
DTXCID401022245
0 references
KNApSAcK ID
C00062713
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BDLLSHRIFPDGQB-AATRIKPKSA-N
LIPID MAPS ID
LMFA01030880
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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