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Δ2-trans-Hexadecenoic acid

CAT: 0804-HY-131306A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131306A-01Size:5 mg
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Description
Δ2-trans-Hexadecenoic acid is a trans fatty acid isolated from the seed oil of Aster tataricus (Thunb.) [1].
CAS Number
929-79-3
UNSPSC
12352211
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-trans-hexadecenoic-acid.html
Smiles
CCCCCCCCCCCCC/C=C/C(O)=O
Molecular Formula
C16H30O2
Molecular Weight
254.41
References & Citations
[1]Payne-Wahl K, et al. Trans-2-hexadecenoic acid in Aster scaber seed oil[J]. Journal of Natural Products, 1981, 44 (2) : 190-192.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hexadecenoic Acid

(E)-hexadec-2-enoic acid is a hexadecenoic acid having a trans-double bond at the 2-position. It has a role as a metabolite. It is a hexadecenoic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of an (E)-hexadec-2-enoate.

CAS Number929-79-3
PubChem CID5282743
IUPAC Name(E)-hexadec-2-enoic acid
Molecular FormulaC16H30O2
Molecular Weight254.41
XLogP7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity209
SMILES
CCCCCCCCCCCCC/C=C/C(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+
InChIKey
ZVRMGCSSSYZGSM-CCEZHUSRSA-N
Chemical Structure
2D Structure
2D structure of Hexadecenoic Acid
CAS: 929-79-3
CID: 5282743
Formula: C16H30O2
MW: 254.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.41
XLogP37
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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