LIPID MAPS

Structure Database (LMSD)

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Systematic Name

12R,13R-dihydroxy-eicosa-5Z,8Z,10E,14Z,17Z-pentaenoic acid

Synonyms

LM ID

LMFA03070060

Formula

C₂₀H₃₀O₄

Exact Mass

Calculate m/z

334.21441

Sum Composition

FA 20:5;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

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

23427579

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