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(Q59864196)
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English
resolvin D3
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
resolvin D
0 references
mass
376.2249741239999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
17-epi-resolvin D3
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₂O₅
0 references
canonical SMILES
CCC=CCC(O)C=CC=CCC(O)C=CC=CC=CC(O)CCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(=C/[C@@H](C\C=C/C=C/[C@H](C/C=C\CC)O)O)\C=C\C=C/[C@H](CCC(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/C22H32O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-11,13-14,16,19-21,23-25H,2,12,15,17-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+,16-9-/t19-,20-,21+/m0/s1
0 references
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
71665428
1 reference
matched by identifier from
InChIKey
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
ChEBI ID
138648
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H32O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-11,13-14,16,19-21,23-25H,2,12,15,17-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+,16-9-/t19-,20-,21+/m0/s1
SureChEMBL ID
SCHEMBL15989152
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
UniChem compound ID
49425634
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-ISAS_Dortmund-IA000094
1 reference
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000096
1 reference
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000269
1 reference
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000380
1 reference
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000268
1 reference
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000270
1 reference
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000381
1 reference
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000095
1 reference
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000379
1 reference
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID801345702
1 reference
matched by identifier from
InChIKey
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N
MeSH descriptor ID
C583088
subject named as
resolvin D3
0 references
Probes And Drugs ID
PD017286
0 references
LIPID MAPS ID
LMFA04030012
0 references
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