Structure Database (LMSD)

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


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MDLMOL SDF CSV TSV
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Main

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

References

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

Calculated Physicochemical Properties

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

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Updated at
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