Structure Database (LMSD)

Common Name
6-hydroxysphingosine
Systematic Name
6-hydroxysphing-4E-enine
Synonyms
LM ID
LMSP01080003
Formula
C18H37NO3
Exact Mass
Calculate m/z
315.277344
Sum Composition
SPB 18:1;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

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

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