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(Q106038881)
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English
16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid
chemical compound
(7Z,10Z,12E,14E,17S,19Z)-16,17-dihydroxydocosa-7,10,12,14,19-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
stereoisomer of
16R,17S-dihydroxy-7Z,10Z,12E,14E,19Z-docosapentaenoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC=CCC(O)C(O)C=CC=CC=CCC=CCCCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC/C=C\C[C@H](O)C(O)/C=C/C=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/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,10,12,14-15,18,20-21,23-24H,2,4,9,11,13,16-17,19H2,1H3,(H,25,26)/b7-5-,8-6-,12-10+,14-3-,18-15+/t20-,21?/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
HRNHRTOXACGZNE-KXMOHCNRSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
132472319
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
HRNHRTOXACGZNE-KXMOHCNRSA-N
ChEBI ID
140266
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/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,10,12,14-15,18,20-21,23-24H,2,4,9,11,13,16-17,19H2,1H3,(H,25,26)/b7-5-,8-6-,12-10+,14-3-,18-15+/t20-,21?/m0/s1
UniChem compound ID
164438329
1 reference
stated in
UniChem
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