Structure Database (LMSD)

H NH O OH P HO O O OH H
Common Name
CerP(d18:0/16:0)
Systematic Name
N-(hexadecanoyl)-sphinganine-1-phosphate
Synonyms
  • C16DH CerP
  • C16 dihydroceramide-1-phosphate
  • dihydroceramide phosphate
LM ID
LMSP02050003
Formula
C34H70NO6P
Exact Mass
Calculate m/z
619.494077
Sum Composition
CerP 34:0;O2
Abbrev Chains
CerP 18:0;O2/16:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]

String Representations

InChiKey (Click to copy)
ILHPMPAVRAZOJB-JHOUSYSJSA-N
InChi (Click to copy)
InChI=1S/C34H70NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36H,3-31H2,1-2H3,(H,35,37)(H2,38,39,40)/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0010698
CHEBI ID
179503
PubChem CID
5283582

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 677.69
Topological Polar Surface Area 116.09
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 11.10
Molar Refractivity 177.80

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Created at
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Updated at
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