Structure Database (LMSD)

Common Name
C17 Sphingosine
Systematic Name
heptadecasphing-4-enine
Synonyms
LM ID
LMSP01040002
Formula
Exact Mass
Calculate m/z
285.266779
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
RBEJCQPPFCKTRZ-LHMZYYNSSA-N
InChi (Click to copy)
InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h13-14,16-17,19-20H,2-12,15,18H2,1H3/b14-13+/t16-,17+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCC

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
Avanti ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 328.60
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 4.39
Molar Refractivity 88.18

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Created at
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Updated at
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