LIPID MAPS

Structure Database (LMSD)

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Common Name

15-Keto TXB2

Systematic Name

9S,11-Dihydroxy-15-oxothrombox-5Z,13E-dien-1-oic acid

Synonyms

15-Keto-thromboxane B2

LM ID

LMFA03030020

Formula

C₂₀H₃₂O₆

Exact Mass

Calculate m/z

368.219891

Sum Composition

FA 20:4;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ovis aries (#9940)

Mammalia (#40674)

The identification of two novel prostaglandins and a thromboxane,
Prostaglandins, 1977

DOI: 10.1016/0090-6980(77)90131-9

String Representations

InChiKey (Click to copy)

RVOAIZNEVKIHQH-XNDJQNEPSA-N

InChi (Click to copy)

InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,16-18,20,22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,20?/m0/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings

Rotatable Bonds 12

Van der Waals Molecular Volume 384.38

Topological Polar Surface Area 106.13

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 3.84

Molar Refractivity 100.06

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Created at

28th Jul 2025

Updated at