Structure Database (LMSD)

Common Name
6-hydroxysphingosine
Systematic Name
6-hydroxysphing-4E-enine
Synonyms
LM ID
LMSP01080003
Status
Active
Exact Mass
Calculate m/z
315.277344
Formula
C18H37NO3
Abbrev
SPB 18:1;O3
Show lipids differing only in stereochemistry/bond geometry
Download as...
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)
LUZYTSCABOWJAC-HLJNGVMWSA-N
InChi (Click to copy)
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)13-14-18(22)17(19)15-20/h13-14,16-18,20-22H,2-12,15,19H2,1H3/b14-13+/t16?,17-,18+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/C(O)CCCCCCCCCCCC)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Free sphingosines of human skin include 6-hydroxysphingosine and unusually long-chain dihydrosphingosines.,
J Invest Dermatol, 1995
Pubmed ID: 7561168

Other Databases

CHEBI ID
73900
PubChem CID
12991068

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 354.69
Topological Polar Surface Area 86.71
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 4.04
Molar Refractivity 94.70

Admin

Created at
-
Updated at
13th May 2021