Structure Database (LMSD)

H NH O OH P HO O O OH H
Common Name
CerP(d18:1/16:0)
Systematic Name
N-(hexadecanoyl)-sphing-4-enine-1-phosphate
Synonyms
  • C16 CerP
LM ID
LMSP02050002
Formula
C34H68NO6P
Exact Mass
Calculate m/z
617.478427
Sum Composition
CerP 34:1;O2
Abbrev Chains
CerP 18:1;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)
UNRULDRRONAKLU-TURZORIXSA-N
InChi (Click to copy)
InChI=1S/C34H68NO6P/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/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b29-27+/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0010700
CHEBI ID
73145
PubChem CID
5283581
SwissLipids ID
SLM:000390208
PDB ID
1PX

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 675.05
Topological Polar Surface Area 116.09
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 10.88
Molar Refractivity 177.70

Reactions

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Reactions graph legend

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Created at
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Updated at
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