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(Q60998619)
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English
(18S)-resolvin E2
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
334.21440943999994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Resolvin E2
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
CCC(O)C=CC=CCC=CCC=CC=CC(O)CCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(C[C@@H](/C=C/C=C\C/C=C\C\C=C/C=C/[C@H](CC)O)O)CC(=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/C20H30O4/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(22)16-13-17-20(23)24/h3-4,7-12,14-15,18-19,21-22H,2,5-6,13,16-17H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19+/m0/s1
0 references
InChIKey
KPRHYAOSTOHNQA-SFHVADPASA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
52921891
1 reference
matched by identifier from
InChIKey
InChIKey
KPRHYAOSTOHNQA-SFHVADPASA-N
ChEBI ID
137034
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O4/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(22)16-13-17-20(23)24/h3-4,7-12,14-15,18-19,21-22H,2,5-6,13,16-17H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19+/m0/s1
SureChEMBL ID
SCHEMBL18587992
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KPRHYAOSTOHNQA-SFHVADPASA-N
UniChem compound ID
60969148
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA03140004
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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