Structure Database (LMSD)
Common Name
Cer(t18:0/16:0)
Systematic Name
N-(hexadecanoyl)-4R-hydroxysphinganine
Synonyms
- N-(hexadecanoyl)-phytoceramide
- N-(palmitoyl)-phytoceramide
- Cer[NP]
LM ID
LMSP02030001
Formula
Exact Mass
Calculate m/z
555.522659
Sum Composition
Abbrev Chains
Cer 18:0;O3/16:0
Status
Active
3D model of Cer(t18:0/16:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IVBULNXGVIHEKN-MVIDNBQJSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
0
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
640.28
Topological Polar Surface Area
89.79
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
9.90
Molar Refractivity
169.06
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Created at
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Updated at
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