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(Q60998704)
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resolvin D2
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
resolvin D
0 references
mass
376.22497412399986
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
7S,16R,17R-trihydroxy-4Z,8E,10Z,12E,14E,19Z-docosahexaenoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
17-epi-resolvin D2
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₂O₅
0 references
canonical SMILES
CCC=CCC(O)C(O)C=CC=CC=CC=CC(O)CC=CCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(C/C=C\C[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](C/C=C\CC)O)O)O)C(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/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21-/m1/s1
0 references
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
11383310
1 reference
matched by identifier from
InChIKey
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
ChEBI ID
81565
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21-/m1/s1
SureChEMBL ID
SCHEMBL3407534
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
UniChem compound ID
1066873
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-ISAS_Dortmund-IA000166
1 reference
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000167
1 reference
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000168
1 reference
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000340
1 reference
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000342
1 reference
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000358
1 reference
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000359
1 reference
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000360
1 reference
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-ISAS_Dortmund-IA000341
1 reference
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID801347465
1 reference
matched by identifier from
InChIKey
InChIKey
IKFAUGXNBOBQDM-XFMPMKITSA-N
MeSH descriptor ID
C545423
subject named as
resolvin D2
0 references
Human Metabolome Database ID
HMDB0002294
reason for deprecated rank
cannot be confirmed by other sources
0 references
Probes And Drugs ID
PD020315
0 references
LIPID MAPS ID
LMFA04030001
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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