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(Q60998697)
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English
(+/-)-7-hydroxy-4Z,8E,10Z,13Z,16Z,19Z-docosahexaenoic acid
chemical compound
7-HDHA
7-hydroxydocosahexaenoic acid
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Statements
instance of
group of stereoisomers
0 references
subclass of
docosanoid
0 references
mass
344.23514488399996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₃₂O₃
0 references
canonical SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(O)C/C=C\CCC(=O)O
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C(C(O)=O)C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)O
0 references
subject has role
primary metabolite
1 reference
stated in
Reactome
reference URL
https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT
Identifiers
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)19-16-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,18,21,23H,2,5,8,11,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-14-,18-15+
0 references
InChIKey
OZXAIGIRPOOJTI-XJAVJPOHSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
16061142
1 reference
matched by identifier from
InChIKey
InChIKey
OZXAIGIRPOOJTI-XJAVJPOHSA-N
ChEBI ID
72623
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)19-16-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,18,21,23H,2,5,8,11,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-14-,18-15+
UniChem compound ID
32024902
1 reference
stated in
UniChem
MassBank accession ID
UT000190
0 references
UT000191
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UT000192
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UT000193
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UT000194
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UT000195
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UT000196
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UT000197
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UT000198
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SPLASH
splash10-000x-0069000000-b59e911b47ac3a2da149
0 references
splash10-001l-0096000000-455a5f81be7d9ba5dabc
0 references
splash10-001i-0092000000-8c07a36de10904c1c0ee
0 references
splash10-0f89-0190000000-8ef90e9a90dbb5a40972
0 references
splash10-0ue9-0190000000-ba471c066a23a2e864a5
0 references
splash10-0fk9-0940000000-83944431c48508abdfec
0 references
splash10-0f6t-9990000000-86d89c7bdbe5e96afc65
0 references
splash10-014i-0900000000-a82702f3efb3aa8f95c8
0 references
splash10-000x-0059000000-823e9fb1f02d6a5a6cca
0 references
Human Metabolome Database ID
HMDB60050
0 references
Probes And Drugs ID
PD020992
0 references
LIPID MAPS ID
LMFA04000025
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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