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(Q106038882)
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English
7,17-dihydroxy-(8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoic acid
chemical compound
(8Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
362.24570956799994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC/C=C\CC(O)/C=C/C=CCC=C/C=C\C(O)CCCCCC(=O)O
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC/C=C\CC(O)/C=C/C=CCC=C/C=C\C(O)CCCCCC(=O)O
1 reference
based on heuristic
inferred from InChI
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/C22H34O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-8,10-12,16-17,20-21,23-24H,2,4,9,13-15,18-19H2,1H3,(H,25,26)/b7-5?,8-6?,10-3-,16-11+,17-12-
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
JUBMLVBCKBUAQW-RULBWSPQSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
132472325
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
JUBMLVBCKBUAQW-RULBWSPQSA-N
ChEBI ID
140273
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H34O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-8,10-12,16-17,20-21,23-24H,2,4,9,13-15,18-19H2,1H3,(H,25,26)/b7-5?,8-6?,10-3-,16-11+,17-12-
UniChem compound ID
164438335
1 reference
stated in
UniChem
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