LIPID MAPS

Structure Database (LMSD)

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Common Name

1-deoxysphing-14Z-enine

Systematic Name

(2S,3R,14Z)-2-amino-14-octadecen-3-ol

Synonyms

LM ID

LMSP01080086

Formula

C₁₈H₃₇NO

Exact Mass

Calculate m/z

283.287514

Sum Composition

SPB 18:1;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Elucidating the chemical structure of native 1-deoxysphingosine.,
J Lipid Res, 2016

Pubmed ID: 27165858

String Representations

InChiKey (Click to copy)

BPUUVXWJPCOCMG-FDICQLOXSA-N

InChi (Click to copy)

InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h5-6,17-18,20H,3-4,7-16,19H2,1-2H3/b6-5-/t17-,18+/m0/s1

SMILES (Click to copy)

[C@](C)([H])(N)[C@]([H])(O)CCCCCCCCCC/C=C\CCC

Other Databases

PubChem CID

137700466

Calculated Physicochemical Properties

Heavy Atoms 20

Rings

Aromatic Rings

Rotatable Bonds 14

Van der Waals Molecular Volume 337.11

Topological Polar Surface Area 46.25

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 5.52

Molar Refractivity 90.90

Admin

Created at

12th Jun 2023

Updated at