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24696-26-2 molecular structure
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N-(1,3-dihydroxyoctadec-4-en-2-yl)hexadecanamide

ChemBase ID: 105172
Molecular Formular: C34H67NO3
Molecular Mass: 537.90068
Monoisotopic Mass: 537.51209501
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)NC(C(/C=C/CCCCCCCCCCCCC)O)CO
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)
InChIKey:
YDNKGFDKKRUKPY-UHFFFAOYSA-N

Cite this record

CBID:105172 http://www.chembase.cn/molecule-105172.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1,3-dihydroxyoctadec-4-en-2-yl)hexadecanamide
IUPAC Traditional name
N-(1,3-dihydroxyoctadec-4-en-2-yl)hexadecanamide
Synonyms
N-Hexadecanoyl-D-sphingosine
C16 ceramide
palmitoyl ceramide
N-PALMITOYL-D-SPHINGOSINE
CAS Number
24696-26-2
PubChem SID
162093582
PubChem CID
5353456

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02158975 external link Add to cart Please log in.
Data Source Data ID
PubChem 5353456 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.619749  H Acceptors
H Donor LogD (pH = 5.5) 10.865354 
LogD (pH = 7.4) 10.865355  Log P 10.8653555 
Molar Refractivity 165.7757 cm3 Polarizability 65.59229 Å3
Polar Surface Area 69.56 Å2 Rotatable Bonds 30 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
-20°C expand Show data source
MSDS Link
Download expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02158975 external link
Purity: 98%
Stimulates cytosolic serine/threonine protein phosphatase in T9 cells. Induces phosphorylation on Thr-669 in A-431 cells.

REFERENCES

REFERENCES

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  • • Dobrowsky, R.T. and Hannum, Y.A., et al., J. Biol. Chem. , 267 : 5048 (1992).
  • • Mathias, S., et al., Proc. Natl. Acad. Sci. USA, 88 : 10009 (1991).
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PATENTS

PATENTS

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INTERNET

INTERNET

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