Structure Database (LMSD)

OH HO HO O OH
Common Name
Trioxilin B3
Systematic Name
10,11S,12R-trihydroxy-5Z,8Z,14Z-eicosatrienoic acid
Synonyms
LM ID
LMFA03090004
Formula
Exact Mass
Calculate m/z
354.240625
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
GOHNIXDAQODZKP-OZPSOFALSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1
SMILES (Click to copy)
C(/C(O)[C@@H](O)[C@H](O)C/C=C\CCCCC)=C/C/C=C\CCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Arachidonic acid epoxides. Isolation and structure of two hydroxy epoxide intermediates in the formation of 8,11,12- and 10,11,12-trihydroxyeicosatrienoic acids.,
J Biol Chem, 1983
Pubmed ID: 6406490

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR5111
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 387.95
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.21
Molar Refractivity 101.84

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Created at
-
Updated at
3rd Apr 2023