LIPID MAPS

Common Name

11,12-epoxy-17-bromo-8S-hydroxy-9E-heptadecen-16-ynoic acid

Systematic Name

11,12-epoxy-17-bromo-8S-hydroxy-9E-heptadecen-16-ynoic acid

Synonyms

LM ID

LMFA01070054

Status

Active

Exact Mass

Calculate m/z

372.093621

Formula

C₁₇H₂₅O₄Br

Show lipids differing only in stereochemistry/bond geometry

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MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

AXEPHILFMYPAOZ-OSSVZDDVSA-N

InChi (Click to copy)

InChI=1S/C17H25BrO4/c18-13-7-3-5-9-15-16(22-15)12-11-14(19)8-4-1-2-6-10-17(20)21/h11-12,14-16,19H,1-6,8-10H2,(H,20,21)/b12-11+/t14-,15?,16?/m0/s1

SMILES (Click to copy)

C1(/C=C/[C@@H](O)CCCCCCC(=O)O)C(CCCC#CBr)O1

Reference

Epoxy Acetylenic Lipids: Their analogues and derivatives. Dmitry V. Kuklev and Valery Dembitsky. Progress in Lipid Research, Volume 56, 2014, pp. 67-91.

https://www.sciencedirect.com/science/article/pii/S0163782714000423

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Leptogium saturninum (#243206)

Lecanoromycetes (#147547)

Epoxy acetylenic lipids: their analogues and derivatives.,
Prog Lipid Res, 2014

Pubmed ID: 25193612

Other Databases

PubChem CID

137323817

Heavy Atoms 22

Rings 1

Aromatic Rings 0

Rotatable Bonds 12

Van der Waals Molecular Volume 334.18

Topological Polar Surface Area 70.06

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 4.48

Molar Refractivity 91.24

Created at

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Updated at

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Structure Database (LMSD)

Main

Classification

String Representations

References

Taxonomy Information

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Calculated Physicochemical Properties

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