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English
14R,21S-diHDHA
chemical compound
(14R,21S)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid
14R,21S-dihydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid
(14R,21S)-DiHDoHE
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Statements
instance of
type of chemical entity
0 references
subclass of
docosanoid
0 references
mass
360.23005950399994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
14R,21R-diHDHA
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
14S,21S-diHDHA
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
14S,21R-diHDHA
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₂O₄
0 references
canonical SMILES
CC(O)C=CCC=CCC(O)C=CC=CCC=CCC=CCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(C(O)=O)C/C=C\C/C=C\C\C=C/C=C/[C@@H](C/C=C\C/C=C\[C@H](C)O)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/C22H32O4/c1-20(23)16-12-10-11-14-18-21(24)17-13-8-6-4-2-3-5-7-9-15-19-22(25)26/h2-3,6-9,11-14,16-17,20-21,23-24H,4-5,10,15,18-19H2,1H3,(H,25,26)/b3-2-,8-6-,9-7-,14-11-,16-12-,17-13+/t20-,21-/m0/s1
0 references
InChIKey
FRJZMMUVPROLHN-XEGNPPHTSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
52921996
0 references
ChEBI ID
137368
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H32O4/c1-20(23)16-12-10-11-14-18-21(24)17-13-8-6-4-2-3-5-7-9-15-19-22(25)26/h2-3,6-9,11-14,16-17,20-21,23-24H,4-5,10,15,18-19H2,1H3,(H,25,26)/b3-2-,8-6-,9-7-,14-11-,16-12-,17-13+/t20-,21-/m0/s1
SureChEMBL ID
SCHEMBL16681488
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FRJZMMUVPROLHN-XEGNPPHTSA-N
UniChem compound ID
62657674
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA04000056
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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