Structure Database (LMSD)
Common Name
Cer(d18:0/h17:0)
Systematic Name
N-(2R-hydroxyheptadecanoyl)-sphinganine
Synonyms
- Pecipamide
- N-(2-hydroxyheptadecanoyl)-sphinganine
- Cer[AdS]
LM ID
LMSP02020019
Formula
Exact Mass
Calculate m/z
569.538309
Sum Composition
Abbrev Chains
Cer 18:0;O2/h17:0
Status
Active
3D model of Cer(d18:0/h17:0)
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)
SKUYODQAHZTUFS-LBFZIJHGSA-N
InChi (Click to copy)
InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(38)32(31-37)36-35(40)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-34,37-39H,3-31H2,1-2H3,(H,36,40)/t32-,33+,34+/m0/s1
SMILES (Click to copy)
C([C@H](NC([C@H](O)CCCCCCCCCCCCCCC)=O)[C@H](O)CCCCCCCCCCCCCCC)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Picipes
(#1871912)
Agaricomycetes
(#155619)
Pecipamide, a new sphingosine derivative from the cultures of Polyporus picipes (Basidiomycetes).,
Lipids, 2010
Lipids, 2010
Pubmed ID:
20422463
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
657.58
Topological Polar Surface Area
89.79
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
10.29
Molar Refractivity
173.68
Reactions
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Updated at
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