Structure Database (LMSD)

Common Name
Isoheptadecasphinganine
Systematic Name
15-Methylhexadecasphinganine
Synonyms
LM ID
LMSP01020003
Status
Active
Exact Mass
Calculate m/z
287.282429
Formula
Abbrev


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)
VFYHIOGWELBGIK-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C17H37NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-17,19-20H,3-14,18H2,1-2H3/t16-,17+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCC(C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Prevotella melaninogenica (#28132)
Bacteroidia (#200643)
Characterization of the iso-branched sphinganines from the ceramide phospholipids of Bacteroides melaninogenicus.,
Biochim Biophys Acta, 1969
Pubmed ID: 5364262

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 331.24
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 4.47
Molar Refractivity 88.21

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Created at
9th Jun 2022
Updated at
9th Jun 2022