LIPID MAPS

Structure Database (LMSD)

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Systematic Name

1,6-Hexadecanediol

Synonyms

LM ID

LMFA05000782

Formula

C₁₆H₃₄O₂

Exact Mass

Calculate m/z

258.255881

Sum Composition

FOH 16:0;O

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

Nicotiana benthamiana (#4100)

Magnoliopsida (#3398)

Identification of 1,6-hexadecanediol and its wax diesters in chloroplasts of Nicotiana benthamiana.,
Planta, 2025

Pubmed ID: 41068492

DOI: 10.1007/s00425-025-04833-8

String Representations

InChiKey (Click to copy)

DHMNAIIEYXRYKP-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17/h16-18H,2-15H2,1H3

SMILES (Click to copy)

C(CCCCC(O)CCCCCCCCCC)O

Other Databases

PubChem CID

118130876

Calculated Physicochemical Properties

Heavy Atoms 18

Rings

Aromatic Rings

Rotatable Bonds 14

Van der Waals Molecular Volume 302.94

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 5.00

Molar Refractivity 79.79

Admin

Created at

12th Dec 2025

Updated at