LIPID MAPS

Structure Database (LMSD)

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Common Name

4E,14Z-Sphingadiene

Systematic Name

sphinga-4E,14Z-dienine

Synonyms

LM ID

LMSP01080002

Formula

C₁₈H₃₅NO₂

Exact Mass

Calculate m/z

297.266779

Sum Composition

SPB 18:2;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Comments

Example of a locked record

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Structure of plasma sphingadienine.,
J Lipid Res, 1969

Pubmed ID: 5356753

String Representations

InChiKey (Click to copy)

KWDXKYNWAKMLKK-YQDZIVAPSA-N

InChi (Click to copy)

InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h4-5,14-15,17-18,20-21H,2-3,6-13,16,19H2,1H3/b5-4-,15-14+/t17-,18+/m0/s1

SMILES (Click to copy)

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

Other Databases

CHEBI ID

73889

PubChem CID

42608343

SwissLipids ID

SLM:000782223

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 0

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 343.26

Topological Polar Surface Area 66.48

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 2

logP 4.56

Molar Refractivity 92.71

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