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(Q60998647)
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English
aspirin-triggered protectin D1
chemical compound
10R,17R-dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
360.23005950399994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Protectin D1
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(10S,17S)-10,17-Dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4Z,7Z,10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosahexaenoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
10R,17S-dihydroxy-4Z,7Z,11E,13E,15E,19Z-docosahexaenoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₂O₄
0 references
canonical SMILES
CCC=CCC(O)C=CC=CC=CC(O)CC=CCC=CCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
OC(CC/C=C\C/C=C\C[C@H](/C=C/C=C/C=C\[C@@H](C/C=C\CC)O)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/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21-/m1/s1
0 references
InChIKey
CRDZYJSQHCXHEG-HBMALMRFSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
71508666
1 reference
matched by identifier from
InChIKey
InChIKey
CRDZYJSQHCXHEG-HBMALMRFSA-N
ChEBI ID
140202
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21-/m1/s1
UniChem compound ID
34635928
1 reference
stated in
UniChem
Probes And Drugs ID
PD150490
0 references
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