LIPID MAPS

Structure Database (LMSD)

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Common Name

14,15-HxB3 (13R)

Systematic Name

13R-hydroxy-14S,15S-epoxy-5Z,8Z,11Z-eicosatrienoic acid

Synonyms

14,15-Hepoxilin B3 (13R)

LM ID

LMFA03090006

Formula

C₂₀H₃₂O₄

Exact Mass

Calculate m/z

336.23006

Sum Composition

FA 20:4;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Biosynthesis of 14,15-hepoxilins in human l1236 Hodgkin lymphoma cells and eosinophils.,
Lipids, 2011

Pubmed ID: 21046276

String Representations

InChiKey (Click to copy)

FMRVHRPEVIVXKX-ZJIVTKJASA-N

InChi (Click to copy)

InChI=1S/C20H32O4/c1-2-3-11-15-18-20(24-18)17(21)14-12-9-7-5-4-6-8-10-13-16-19(22)23/h5-8,12,14,17-18,20-21H,2-4,9-11,13,15-16H2,1H3,(H,22,23)/b7-5-,8-6-,14-12-/t17-,18+,20+/m1/s1

SMILES (Click to copy)

C(CCC/C=C\C/C=C\C/C=C\[C@@H](O)[C@@H]1O[C@H]1CCCCC)(=O)O

Other Databases

CHEBI ID

75700

PubChem CID

13198537

SwissLipids ID

SLM:000000963

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 1

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 366.80

Topological Polar Surface Area 70.06

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 5.26

Molar Refractivity 98.49

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Created at

Updated at

6th Apr 2022