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8-[(2S,3R)-3-(8-Hydroxyoctyl)oxiran-2-yl]octanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9,10-epoxy-18-hydroxyoctadecanoic acid
1 reference
based on heuristic
inferred from InChIKey
mass
314.24570956799994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
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
(9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid
1 reference
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+/m1/s1
0 references
InChIKey
ITTPZDMHCNGAGQ-SJORKVTESA-N
0 references
CAS Registry Number
35688-45-0
0 references
PubChem CID
16061046
1 reference
matched by identifier from
InChIKey
InChIKey
ITTPZDMHCNGAGQ-SJORKVTESA-N
ChEBI ID
138255
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+/m1/s1
UniChem compound ID
47878693
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70581614
1 reference
matched by identifier from
InChIKey
InChIKey
ITTPZDMHCNGAGQ-SJORKVTESA-N
DSSTOX compound identifier
DTXCID80532379
0 references
LIPID MAPS ID
LMFA02000004
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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