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English
(9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid
chemical compound
8-[(2R,3S)-3-(8-hydroxyoctyl)oxiran-2-yl]octanoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
314.24570956799994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
8-[(2S,3R)-3-(8-Hydroxyoctyl)oxiran-2-yl]octanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
8-[(2S,3S)-3-(8-Hydroxyoctyl)oxirane-2-yl]octanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₈H₃₄O₄
0 references
canonical SMILES
O=C(O)CCCCCCCC1OC1CCCCCCCCO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(CCCCO)CCC[C@H]1[C@H](O1)CCCCCCCC(=O)O
0 references
Identifiers
InChI
InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)/t16-,17+/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
ITTPZDMHCNGAGQ-DLBZAZTESA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
16061045
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
138258
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)/t16-,17+/m0/s1
UniChem compound ID
55745741
1 reference
stated in
UniChem
Cannabis Database ID
005066
1 reference
stated in
Cannabis Database
Human Metabolome Database ID
HMDB0061650
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ITTPZDMHCNGAGQ-DLBZAZTESA-N
LIPID MAPS ID
LMFA02000003
1 reference
InChIKey
ITTPZDMHCNGAGQ-DLBZAZTESA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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