Structure Database (LMSD)

Common Name
Calicogorgin A
Systematic Name
Synonyms
LM ID
LMSP01080018
Status
Active
Exact Mass
Calculate m/z
379.308644
Formula
C23H41NO3
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

String Representations

InChiKey (Click to copy)
XCZMLTPOPVHWAU-FQEVSTJZSA-N
InChi (Click to copy)
InChI=1S/C23H41NO3/c1-5-14-22-18(2)19(3)23(27-22)16-13-11-9-7-6-8-10-12-15-21(26)20(17-25)24-4/h20,24-25H,5-17H2,1-4H3/t20-/m0/s1
SMILES (Click to copy)
C(CC)C1=C(C)C(C)=C(CCCCCCCCCCC(=O)[C@@H](NC)CO)O1

References

Other Databases

PubChem CID
42608354

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 412.65
Topological Polar Surface Area 62.47
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.62
Molar Refractivity 113.38

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Updated at
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