Structure Database (LMSD)
Common Name
CerP(d18:1/12:0)
Systematic Name
N-(dodecanoyl)-sphing-4-enine-1-phosphate
Synonyms
- N-lauroyl-ceramide-1-phosphate
LM ID
LMSP02050001
Formula
Exact Mass
Calculate m/z
561.415827
Sum Composition
Abbrev Chains
CerP 18:1;O2/12:0
Status
Active
3D model of CerP(d18:1/12:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
KXEMZGPJXBKYJP-VARSQMIESA-N
InChi (Click to copy)
InChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36)/b25-23+/t28-,29+/m0/s1
SMILES (Click to copy)
P(=O)(OC[C@]([H])(NC(=O)CCCCCCCCCCC)[C@]([H])(O)/C=C/CCCCCCCCCCCCC)(O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
28
Van der Waals Molecular Volume
605.85
Topological Polar Surface Area
116.09
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
9.32
Molar Refractivity
159.23
Reactions
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Created at
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Updated at
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