Structure Database (LMSD)

Systematic Name
12R,13R-dihydroxy-eicosa-5Z,8Z,10E,14Z,17Z-pentaenoic acid
Synonyms
LM ID
LMFA03070060
Status
Active
Exact Mass
Calculate m/z
334.21441
Formula
Abbrev


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

Main

Classification

String Representations

InChiKey (Click to copy)
XJVATZRQYYFGGW-BTVANTHESA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-9-12-15-18(21)19(22)16-13-10-7-5-6-8-11-14-17-20(23)24/h3-4,6-8,10,12-13,15-16,18-19,21-22H,2,5,9,11,14,17H2,1H3,(H,23,24)/b4-3-,8-6-,10-7-,15-12-,16-13+/t18-,19-/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C=C\[C@@H](O)[C@H](O)/C=C\C/C=C\CC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Farlowia mollis (#42016)
Florideophyceae (#2806)
Three new and bioactive icosanoids from the temperate red marine alga Farlowia mollis.,
Lipids, 1989
Pubmed ID: 2547132

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 373.88
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.51
Molar Refractivity 99.75

Admin

Created at
15th Nov 2020
Updated at
15th Nov 2020