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(Q74411258)
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English
(18S)-resolvin E1(1-)
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
icosanoid anion
0 references
polyunsaturated fatty acid anion
0 references
mass
349.20204760790995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
resolvin E1(1-)
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₉O₅⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(O)C=CC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@@H](/C=C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)[O-])O)O)O
0 references
Identifiers
InChI
InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/p-1/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18-,19+/m0/s1
0 references
InChIKey
AOPOCGPBAIARAV-JJVMZPRHSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
124202399
1 reference
matched by identifier from
InChIKey
InChIKey
AOPOCGPBAIARAV-JJVMZPRHSA-M
ChEBI ID
136057
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/p-1/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18-,19+/m0/s1
UniChem compound ID
150607996
1 reference
stated in
UniChem
SwissLipids ID
SLM:000508818
2 references
stated in
SwissLipids
reference URL
https://www.swisslipids.org/#/downloads
retrieved
6 November 2021
matched by identifier from
InChIKey
InChIKey
AOPOCGPBAIARAV-JJVMZPRHSA-M
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