LIPID MAPS

Structure Database (LMSD)

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Common Name

2R-hydroxy-goshuyic acid

Systematic Name

2R-hydroxy-5Z,8Z-tetradecadienoic acid

Synonyms

LM ID

LMFA01050602

Formula

C₁₄H₂₄O₃

Exact Mass

Calculate m/z

240.172545

Sum Composition

FA 14:2;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

HVWBBNKHIIHWCL-UFNCSWJDSA-N

InChi (Click to copy)

InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h6-7,9-10,13,15H,2-5,8,11-12H2,1H3,(H,16,17)/b7-6-,10-9-/t13-/m1/s1

SMILES (Click to copy)

C([C@H](O)CC/C=C\C/C=C\CCCCC)(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

unclassified Bacillus (in: Bacteria) (#185979)

Bacilli (#91061)

Glycosylated 24-membered lactones and unsaturated fatty acids from cold-seep-derived Bacillus sp. HDN 20-1259,
Tetrahedron Letts, 2023

DOI: 10.1016/j.tetlet.2023.154477

Other Databases

PubChem CID

171116382

Calculated Physicochemical Properties

Heavy Atoms 17

Rings

Aromatic Rings

Rotatable Bonds 10

Van der Waals Molecular Volume 269.21

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 3.58

Molar Refractivity 70.43

Admin

Created at

3rd Jul 2023

Updated at