LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Obscuraminol E

Systematic Name

1-deoxy-11Z-hexadecasphingenine

Synonyms

LM ID

LMSP01080075

Formula

C₁₆H₃₃NO

Exact Mass

Calculate m/z

255.256214

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Pseudodistoma (#282280)

Ascidiacea (#7713)

Obscuraminols, new unsaturated amino alcohols from the tunicate Pseudodistoma obscurum: structure andabsolute cofiguration,
Tetrahedron, 2001

DOI: 10.1016/S0040-4020(01)00372-6

String Representations

InChiKey (Click to copy)

QNWQYXJJIAXWKD-SHUKXNKTSA-N

InChi (Click to copy)

InChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h6-7,15-16,18H,3-5,8-14,17H2,1-2H3/b7-6-/t15-,16+/m0/s1

SMILES (Click to copy)

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

Other Databases

PubChem CID

101101128

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 0

Aromatic Rings 0

Rotatable Bonds 12

Van der Waals Molecular Volume 302.51

Topological Polar Surface Area 46.25

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 4.74

Molar Refractivity 81.66

Admin

Created at

24th Dec 2020

Updated at