Structure Database (LMSD)

H NH O OH P HO O O OH H
Common Name
CerP(d18:1/14:0)
Systematic Name
N-(tetradecanoyl)-sphing-4-enine-1-phosphate
Synonyms
  • C14 CerP
LM ID
LMSP02050013
Formula
C32H64NO6P
Exact Mass
Calculate m/z
589.447127
Sum Composition
CerP 32:1;O2
Abbrev Chains
CerP 18:1;O2/14:0
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)
SKNPSPOYFIEDJT-JHRQRACZSA-N
InChi (Click to copy)
InChI=1S/C32H64NO6P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(34)30(29-39-40(36,37)38)33-32(35)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34H,3-24,26,28-29H2,1-2H3,(H,33,35)(H2,36,37,38)/b27-25+/t30-,31+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

References

Other Databases

CHEBI ID
73146
PubChem CID
70698983
SwissLipids ID
SLM:000395794

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 640.45
Topological Polar Surface Area 116.09
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 10.10
Molar Refractivity 168.47

Reactions

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Reactions graph legend

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Created at
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Updated at
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