LIPID MAPS

Structure Database (LMSD)

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Common Name

Govanic Acid

Systematic Name

7,8,9-trihydroxy-10Z-octadecenoic acid

Synonyms

7,8,9-triHOME

LM ID

LMFA02000414

Formula

C₁₈H₃₄O₅

Exact Mass

Calculate m/z

330.240625

Sum Composition

FA 18:1;O3

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Trillium govanianum (#82485)

Magnoliopsida (#3398)

A New Trihydroxylated Fatty Acid and Phytoecdysteroids from Rhizomes of Trillium govanianum

String Representations

InChiKey (Click to copy)

IFNSOVOJBDIMSN-XFXZXTDPSA-N

InChi (Click to copy)

InChI=1S/C18H34O5/c1-2-3-4-5-6-7-9-12-15(19)18(23)16(20)13-10-8-11-14-17(21)22/h9,12,15-16,18-20,23H,2-8,10-11,13-14H2,1H3,(H,21,22)/b12-9-

SMILES (Click to copy)

C(CCCCCC(O)C(O)C(O)/C=C\CCCCCCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 23

Rings

Aromatic Rings

Rotatable Bonds 15

Van der Waals Molecular Volume 358.63

Topological Polar Surface Area 97.99

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 3.88

Molar Refractivity 92.79

Admin

Created at

29th Jul 2024

Updated at