Structure Database (LMSD)

Common Name
anteiso (4E,14-methyl-d16:1) sphingosine
Systematic Name
14-methyl-hexadecasphing-4E-enine
Synonyms
  • 14-methyl-hexadecasphingosine
LM ID
LMSP01080006
Formula
C17H35NO2
Exact Mass
Calculate m/z
285.266779
Sum Composition
SPB 17:1;O2
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]

String Representations

InChiKey (Click to copy)
NJVGCHGRFMZTKV-KLVHAFEJSA-N
InChi (Click to copy)
InChI=1S/C17H35NO2/c1-3-15(2)12-10-8-6-4-5-7-9-11-13-17(20)16(18)14-19/h11,13,15-17,19-20H,3-10,12,14,18H2,1-2H3/b13-11+/t15?,16-,17+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CCCCCCCCC(C)CC)O

Other Databases

CHEBI ID
83988
PubChem CID
42608346

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 328.60
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 4.25
Molar Refractivity 88.11

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Updated at
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