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(Q76423611)
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English
(2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid amide
0 references
mass
289.204179104
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₇NO₂
0 references
canonical SMILES
CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O
0 references
isomeric SMILES
C/C=C/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)(C)O
0 references
found in taxon
Zanthoxylum bungeanum
3 references
stated in
Alkylamides from pericarps of Zanthoxylum bungeanum
stated in
Amides of the fruit of Zanthoxylum spp.
stated in
Amides from huajiao, pericarps of Zanthoxylum bungeanum MAXIM.
Identifiers
InChI
InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+
0 references
InChIKey
CRPPMKFSMRODIQ-FMBIJHKPSA-N
0 references
CAS Registry Number
127514-62-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14135316
1 reference
matched by identifier from
InChIKey
InChIKey
CRPPMKFSMRODIQ-FMBIJHKPSA-N
ChEBI ID
174066
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+
SureChEMBL ID
SCHEMBL1030779
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CRPPMKFSMRODIQ-FMBIJHKPSA-N
UniChem compound ID
32019027
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201314791
1 reference
matched by identifier from
InChIKey
InChIKey
CRPPMKFSMRODIQ-FMBIJHKPSA-N
Human Metabolome Database ID
HMDB0031183
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CRPPMKFSMRODIQ-FMBIJHKPSA-N
KNApSAcK ID
C00056778
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CRPPMKFSMRODIQ-FMBIJHKPSA-N
LIPID MAPS ID
LMFA08020186
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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