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Sapienic acid

CAT: 0013-GTR19204856-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204856-02Size:10 mg
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Description
Sapienic acid
CAS Number
17004-51-2
Field of Research
Infectious Disease & Virology
Smiles
C (=C\CCCCCCCCC) \CCCCC (O) =O
Molecular Formula
C16H30O2
Molecular Weight
254.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sapienic acid

Sapienic acid is a hexadecenoic acid in which the double bond is located at position 6 (the Z-geoisomer). A major component of human sebaceous lipids that is involved in skin self-sterilisation and atopic dermatitis amelioration. It has a role as a metabolite, an antibacterial agent and an antipsoriatic. It is a conjugate acid of a sapienate.

CAS Number17004-51-2
PubChem CID5312419
IUPAC Name(Z)-hexadec-6-enoic acid
Molecular FormulaC16H30O2
Molecular Weight254.41
XLogP6.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity209
SMILES
CCCCCCCCC/C=C\CCCCC(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10-
InChIKey
NNNVXFKZMRGJPM-KHPPLWFESA-N
Chemical Structure
2D Structure
2D structure of Sapienic acid
CAS: 17004-51-2
CID: 5312419
Formula: C16H30O2
MW: 254.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.41
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass254.224580195
Monoisotopic Mass254.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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