5UF

(3~{S})-3-oxidanyldecanoic acid

Created: 2015-12-02
Last modified:  2020-05-26

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count1
Bond Count32
Aromatic Bond Count0
2D diagram of 5UF

Chemical Component Summary

Name(3~{S})-3-oxidanyldecanoic acid
SynonymsMyrmicacin; 3-hydroxydecanoic acid
Systematic Name (OpenEye OEToolkits)(3~{S})-3-oxidanyldecanoic acid
FormulaC10 H20 O3
Molecular Weight188.264
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCCCCCC[CH](O)CC(O)=O
SMILESOpenEye OEToolkits2.0.4CCCCCCCC(CC(=O)O)O
Canonical SMILESCACTVS3.385 CCCCCCC[C@H](O)CC(O)=O
Canonical SMILESOpenEye OEToolkits2.0.4 CCCCCCC[C@@H](CC(=O)O)O
InChIInChI1.03 InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyInChI1.03 FYSSBMZUBSBFJL-VIFPVBQESA-N

Related Resource References

Resource NameReference
PubChem 5312799
ChEBI CHEBI:37371