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(Q50318261)
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English
15-oxo-ETE
chemical compound
15-Kete
15-OxoETE
15-Oxo-5,8,11-cis-13-trans-eicosatetraenoate
(5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ketone
0 references
icosanoid
0 references
mass
318.21949481999997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
O=C(O)CCCC=CCC=CCC=CC=CC(=O)CCCCC
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isomeric SMILES
CCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O
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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/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+
0 references
InChIKey
YGJTUEISKATQSM-USWFWKISSA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
81416-72-0
1 reference
InChIKey
YGJTUEISKATQSM-USWFWKISSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=81416-72-0
PubChem CID
5280701
0 references
ChEBI ID
15559
mapping relation type
exact match
1 reference
stated in
ChEBI release 2019-10-02
SureChEMBL ID
SCHEMBL144747
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
449825
1 reference
stated in
UniChem
MassBank accession ID
UT000118
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UT000119
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UT000120
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UT000121
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UT000122
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UT000123
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UT000124
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UT000125
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UT000126
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SPLASH
splash10-01b9-0594000000-565acf0178bd3b119607
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splash10-01b9-0962000000-df808385b0725329323e
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splash10-014r-0920000000-c91bf031286952802dc9
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splash10-02ti-0900000000-13e1f7d679e949631c34
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splash10-01p9-1900000000-0bd5fa12d13347d41571
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splash10-03di-0900000000-a4d1e07ce34b877f81d3
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splash10-000i-2900000000-fa594a5bbf49bdbbca13
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splash10-01p9-4900000000-75678f0b1f95bf4d2c54
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splash10-00dr-0897000000-fa87284cbc0a3d2622cd
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DSSTox substance ID
DTXSID50904327
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DSSTOX compound identifier
DTXCID101333485
0 references
Human Metabolome Database ID
HMDB0010210
1 reference
based on heuristic
inferred from InChIKey
Probes And Drugs ID
PD020968
0 references
KEGG ID
C04577
0 references
LIPID MAPS ID
LMFA03060051
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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