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C16 Ceramide

CAT: 0127-BUP10639-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10639-02Size:10 mg
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CAS Number
24696-26-2
Synonyms
N-acylsphingosine, C16 Ceramide (d18:1/16:0), Palmitoyl Ceramide, N-Palmitoylsphingosine
Purity
=98%
Smiles
CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC

Chemical Information

C16-Ceramide

N-hexadecanoylsphingosine is a N-acylsphingosine in which the ceramide N-acyl group is specified as hexadecanoyl (palmitoyl). It has a role as a Mycoplasma genitalium metabolite and a human blood serum metabolite. It is a Cer(d34:1), a N-palmitoyl-sphingoid base and a N-acylsphingosine. It is functionally related to a hexadecanoic acid.

CAS Number24696-26-2
PubChem CID5283564
IUPAC NameN-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide
Molecular FormulaC34H67NO3
Molecular Weight537.9
XLogP12.9
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count30
Heavy Atom Count38
Formal Charge0
Complexity508
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
InChIKey
YDNKGFDKKRUKPY-TURZORIXSA-N
Chemical Structure
2D Structure
2D structure of C16-Ceramide
CAS: 24696-26-2
CID: 5283564
Formula: C34H67NO3
MW: 537.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight537.9
XLogP312.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count30
Exact Mass537.51209500
Monoisotopic Mass537.51209500
Topological Polar Surface Area69.6 Ų
Heavy Atom Count38
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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