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(Q74411404)
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English
(R,R)-3-(3-hydroxydecanoyloxy)decanoate
anion
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
1 reference
stated in
ChEBI release 2019-11-01
3-hydroxydecanoyl-3-hydroxydecanoate
0 references
mass
357.26464786390994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₃₇O₅⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCC(O)CC(=O)OC(CCCCCCC)CC(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCC[C@H](CC(=O)O[C@H](CCCCCCC)CC(=O)[O-])O
0 references
Identifiers
InChI
InChI=1S/C20H38O5/c1-3-5-7-9-11-13-17(21)15-20(24)25-18(16-19(22)23)14-12-10-8-6-4-2/h17-18,21H,3-16H2,1-2H3,(H,22,23)/p-1/t17-,18-/m1/s1
0 references
InChIKey
ZFPAFAWFRTWCSK-QZTJIDSGSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
131801218
1 reference
matched by identifier from
InChIKey
InChIKey
ZFPAFAWFRTWCSK-QZTJIDSGSA-M
ChEBI ID
139104
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H38O5/c1-3-5-7-9-11-13-17(21)15-20(24)25-18(16-19(22)23)14-12-10-8-6-4-2/h17-18,21H,3-16H2,1-2H3,(H,22,23)/p-1/t17-,18-/m1/s1
UniChem compound ID
163681908
1 reference
stated in
UniChem
SwissLipids ID
SLM:000598102
1 reference
matched by identifier from
InChIKey
InChIKey
ZFPAFAWFRTWCSK-QZTJIDSGSA-M
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