LIPID MAPS

Structure Database (LMSD)

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Systematic Name

7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid

Synonyms

LM ID

LMFA01031262

Formula

C₁₈H₂₈O₃

Exact Mass

Calculate m/z

292.203845

Sum Composition

FA 18:4;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ganonema farinosum (#259039)

Florideophyceae (#2806)

Toxic acetylene-containing lipids from the red marine alga Liagora farinosa lamouroux,
Tetrahedron Letts, 1980

DOI: 10.1016/S0040-4039(00)78680-1

String Representations

InChiKey (Click to copy)

RHFWYTUTNZBTBL-BKIWZHBDSA-N

InChi (Click to copy)

InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h6-7,11,14,17,19H,2-5,8,10,13,15-16H2,1H3,(H,20,21)/b7-6-,14-11-

SMILES (Click to copy)

C(CCCC#CCC(O)/C=C\C/C=C\CCCCC)(=O)O

Other Databases

PubChem CID

171118738

Calculated Physicochemical Properties

Heavy Atoms 21

Rings

Aromatic Rings

Rotatable Bonds 11

Van der Waals Molecular Volume 333.13

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 4.36

Molar Refractivity 87.44

Admin

Created at

28th Sep 2021

Updated at