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C16 Phytoceramide (t18:0/16:0)

CAT: 0013-GTR19190129-01Size: 1 mgDry Ice: NoHazardous: No
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Description
C16 Phytoceramide (t18:0/16:0) is a sphingolipid composed of phytosphingosine and a C16 fatty acid, found in mammalian skin and other tissues. Its levels increase in yeast under heat stress, and it is utilized in constructing stratum corneum models for in vitro studies of skin barrier function and percutaneous penetration.
CAS Number
111149-09-8
Smiles
CCCCCCCCCCCCCCCC (=O) N[C@@H] (CO) [C@H] (O) [C@H] (O) CCCCCCCCCCCCCC
Molecular Formula
C34H69NO4
Molecular Weight
555.929
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Armillaramide

N-hexadecanoylphytosphingosine is a phytoceramide compound having a hexadecanoyl group attached to the nitrogen atom. It is a N-palmitoyl-sphingoid base and a N-acylphytosphingosine.

CAS Number111149-09-8
PubChem CID10506988
IUPAC NameN-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexadecanamide
Molecular FormulaC34H69NO4
Molecular Weight555.9
XLogP12.2
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count31
Heavy Atom Count39
Formal Charge0
Complexity502
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)35-31(30-36)34(39)32(37)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34,36-37,39H,3-30H2,1-2H3,(H,35,38)/t31-,32+,34-/m0/s1
InChIKey
IVBULNXGVIHEKN-MVIDNBQJSA-N
Chemical Structure
2D Structure
2D structure of Armillaramide
CAS: 111149-09-8
CID: 10506988
Formula: C34H69NO4
MW: 555.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.9
XLogP312.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count31
Exact Mass555.52265968
Monoisotopic Mass555.52265968
Topological Polar Surface Area89.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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