Structure Database (LMSD)

Common Name
Cer(t17:0/24:0(2OH))
Systematic Name
N-(2-hydroxytetracosanoyl)-4R-hydroxyheptadecasphinganine
Synonyms
LM ID
LMSP02030087
Formula
Exact Mass
Calculate m/z
669.627124
Sum Composition
Abbrev Chains
Cer 17:0;O3/24:0;O
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Emiliania huxleyi virus sp. (#181208)
Megaviricetes (#2732523)
Viral serine palmitoyltransferase induces metabolic switch in sphingolipid biosynthesis and is required for infection of a marine alga.,
Proc Natl Acad Sci U S A, 2016
Pubmed ID: 26984500

String Representations

InChiKey (Click to copy)
WPOLKPIVJDIQMS-JBIFUTELSA-N
InChi (Click to copy)
InChI=1S/C41H83NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-14-12-10-8-6-4-2/h37-40,43-46H,3-36H2,1-2H3,(H,42,47)/t37-,38+,39?,40-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCC

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 47
Rings
Aromatic Rings
Rotatable Bonds 38
Van der Waals Molecular Volume 770.17
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 11.89
Molar Refractivity 203.28

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Created at
13th Oct 2021
Updated at
13th Oct 2021