LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

Crucigasterin 275

Systematic Name

1-deoxy-sphinga-5E,9Z,12Z,15Z,17-pentaenine

Synonyms

LM ID

LMSP01080094

Formula

C₁₈H₂₉NO

Exact Mass

Calculate m/z

275.224914

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

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)

DBUTWWBBBQFAJO-LFPPQAFFSA-N

InChi (Click to copy)

InChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h3-5,7-8,10-11,14-15,17-18,20H,1,6,9,12-13,16,19H2,2H3/b5-4-,8-7-,11-10-,15-14+/t17-,18+/m0/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 20

Rings

Aromatic Rings

Rotatable Bonds 11

Van der Waals Molecular Volume 326.55

Topological Polar Surface Area 46.25

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 4.63

Molar Refractivity 90.52

Admin

Created at

30th Jul 2026

Updated at