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(Q106038923)
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English
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid
chemical compound
(7Z,9E,11E,14S,16Z,19Z)-13,14-dihydroxydocosa-7,9,11,16,19-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
CCC=CCC=CCC(O)C(O)C=CC=CC=CCCCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC/C=C\C/C=C\C[C@H](O)C(O)/C=C/C=C/C=C\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/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h3-4,6-7,9,11-12,14-15,18,20-21,23-24H,2,5,8,10,13,16-17,19H2,1H3,(H,25,26)/b4-3-,7-6-,12-9+,14-11-,18-15+/t20-,21?/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
WQCVCAMRMROGHL-PZSFLIPTSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
132472314
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
WQCVCAMRMROGHL-PZSFLIPTSA-N
ChEBI ID
140257
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/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h3-4,6-7,9,11-12,14-15,18,20-21,23-24H,2,5,8,10,13,16-17,19H2,1H3,(H,25,26)/b4-3-,7-6-,12-9+,14-11-,18-15+/t20-,21?/m0/s1
UniChem compound ID
164438324
1 reference
stated in
UniChem
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