LIPID MAPS

Structure Database (LMSD)

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Common Name

Carotatoxin

Systematic Name

1E,10-Heptadecadiene-5,7-diyn-3-ol

Synonyms

LM ID

LMFA05000783

Formula

C₁₇H₂₄O

Exact Mass

Calculate m/z

244.182715

Sum Composition

FOH 17:6

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

Daucus carota (#4039)

Magnoliopsida (#3398)

The structure of carotatoxin, a natural toxicant from carrot,
Tetrahedron, 1967

DOI: 10.1016/S0040-4020(01)83330-5

String Representations

InChiKey (Click to copy)

FXXPOEXJAUWMMJ-MDZDMXLPSA-N

InChi (Click to copy)

InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,9-10,17-18H,2-3,5-8,11,16H2,1H3/b10-9+

SMILES (Click to copy)

C=CC(O)CC#CC#CC/C=C/CCCCCC

Other Databases

PubChem CID

6508615

Calculated Physicochemical Properties

Heavy Atoms 18

Rings

Aromatic Rings

Rotatable Bonds 8

Van der Waals Molecular Volume 295.61

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 4.13

Molar Refractivity 79.40

Admin

Created at

18th May 2026

Updated at