LIPID MAPS

Structure Database (LMSD)

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Common Name

Obscuraminol B

Systematic Name

1-deoxy-hexadecasphinga-7Z,15-dienine

Synonyms

2-aminohexadecadien-3-ol

LM ID

LMSP01080073

Formula

C₁₆H₃₁NO

Exact Mass

Calculate m/z

253.240564

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)

WQUFOQOJRNRZNB-JVSIQZEQSA-N

InChi (Click to copy)

InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,10-11,15-16,18H,1,4-9,12-14,17H2,2H3/b11-10-/t15-,16+/m0/s1

SMILES (Click to copy)

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

Other Databases

PubChem CID

101101125

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 0

Aromatic Rings 0

Rotatable Bonds 12

Van der Waals Molecular Volume 299.87

Topological Polar Surface Area 46.25

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 4.52

Molar Refractivity 81.57

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Created at

24th Dec 2020

Updated at