Structure Database (LMSD)

Common Name
Capnine
Systematic Name
(2R,3R)-2-amino-3-hydroxy-15-methylhexadecane-1-sulfonic acid
Synonyms
LM ID
LMSP01080041
Status
Active
Exact Mass
Calculate m/z
351.244331
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
XMTQSVIYISYLNK-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C17H37NO4S/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(19)16(18)14-23(20,21)22/h15-17,19H,3-14,18H2,1-2H3,(H,20,21,22)/t16-,17+/m0/s1
SMILES (Click to copy)
[C@H](N)(CS(=O)(=O)O)[C@H](O)CCCCCCCCCCCC(C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Flavobacterium johnsoniae (#986)
Flavobacteriia (#117743)
Biosynthesis of a sulfonolipid in gliding bacteria.,
Biochem Biophys Res Commun, 1985
Pubmed ID: 2992489

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 367.33
Topological Polar Surface Area 100.62
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.62
Molar Refractivity 97.44

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Updated at
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