LIPID MAPS

Structure Database (LMSD)

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Common Name

Crucigasterin 225

Systematic Name

1-deoxy-tetradecasphinga-4E,13-dienine

Synonyms

LM ID

LMSP01080095

Formula

C₁₄H₂₇NO

Exact Mass

Calculate m/z

225.209264

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Pseudodistoma crucigaster (#282281)

Ascidiacea (#7713)

Crucigasterins, new polyunsaturated amino alcohols from the mediterranean tunicate Pseudodistoma crucigaster,
J Org Chem, 1993

DOI: 10.1021/jo00073a036

String Representations

InChiKey (Click to copy)

AKXWKMQPINMKAE-CYUAOAIUSA-N

InChi (Click to copy)

InChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,11-14,16H,1,4-10,15H2,2H3/b12-11+/t13-,14+/m0/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 16

Rings

Aromatic Rings

Rotatable Bonds 10

Van der Waals Molecular Volume 265.27

Topological Polar Surface Area 46.25

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 3.74

Molar Refractivity 72.34

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Created at

30th Jul 2026

Updated at