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(Q63398052)
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English
8S,15S-dihydroxy-5Z,9E,11Z,13E-eicosatetraenoic acid
chemical compound
8S,15S-DiHETE
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Statements
instance of
type of chemical entity
0 references
subclass of
hydroxy and hydroperoxyeicosatetraenoic acids
0 references
mass
336.23005950399994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
AC1O7M0F
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₄
0 references
canonical SMILES
CCCCCC(O)C=CC=CC=CC(O)CC=CCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCC[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
0 references
InChIKey
NNPWRKSGORGTIM-HCCKYKKOSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
5283183
1 reference
matched by identifier from
InChIKey
InChIKey
NNPWRKSGORGTIM-HCCKYKKOSA-N
ChEBI ID
136485
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
UniChem compound ID
33607668
1 reference
stated in
UniChem
MassBank accession ID
UT000199
0 references
UT000200
0 references
UT000201
0 references
UT000202
0 references
UT000203
0 references
UT000204
0 references
UT000205
0 references
UT000206
0 references
UT000207
0 references
DSSTox substance ID
DTXSID901350025
1 reference
matched by identifier from
InChIKey
InChIKey
NNPWRKSGORGTIM-HCCKYKKOSA-N
Probes And Drugs ID
PD020967
0 references
LIPID MAPS ID
LMFA03060050
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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