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16-Hydroxy-9-hexadecenoic acid

CAT: 0804-HY-N16390Size: 1 EachDry Ice: NoHazardous: No
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Description
16-Hydroxy-9-hexadecenoic acid is a minor hydroxy fatty acid component. 16-Hydroxy-9-hexadecenoic acid can form ester bonds with terpenoid acids to form monoester or polyester structures in cordyceps[1].
CAS Number
17278-80-7
UNSPSC
12352211
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
O=C(CCCCCCC/C=C/CCCCCCO)O
Molecular Formula
C16H30O3
Molecular Weight
270.41
References & Citations
[1]Tamburini D, et al. The characterisation of shellac resin by flow injection and liquid chromatography coupled with electrospray ionisation and mass spectrometry. Sci Rep. 2017 Nov 1;7 (1) :14784.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

9-Hexadecenoic acid, 16-hydroxy-

16-hydroxy-9E-hexadecenoic acid is a long-chain fatty acid.

CAS Number17278-80-7
PubChem CID5312762
IUPAC Name(E)-16-hydroxyhexadec-9-enoic acid
Molecular FormulaC16H30O3
Molecular Weight270.41
XLogP4.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity224
SMILES
C(CCC/C=C/CCCCCCO)CCCC(=O)O
InChI
InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3,17H,2,4-15H2,(H,18,19)/b3-1+
InChIKey
RPQJFAIEPUKQHK-HNQUOIGGSA-N
Chemical Structure
2D Structure
2D structure of 9-Hexadecenoic acid, 16-hydroxy-
CAS: 17278-80-7
CID: 5312762
Formula: C16H30O3
MW: 270.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.41
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass270.21949481
Monoisotopic Mass270.21949481
Topological Polar Surface Area57.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity224
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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