LIPID MAPS

Structure Database (LMSD)

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Common Name

15-Keto-13,14-dihydro TXB2

Systematic Name

9S,11-Dihydroxy-15-oxothrombox-5Z-en-1-oic acid

Synonyms

15-Keto-13,14-dihydrothromboxane B2

LM ID

LMFA03030019

Formula

C₂₀H₃₄O₆

Exact Mass

Calculate m/z

370.235541

Sum Composition

FA 20:3;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Cavia porcellus (#10141)

Mammalia (#40674)

Release of novel prostaglandins and thromboxanes after immunological challenge of guinea pig lung.,
Nature, 1976

Pubmed ID: 958441

String Representations

InChiKey (Click to copy)

APHSFGGFXCDPTM-VYKMRYAHSA-N

InChi (Click to copy)

InChI=1S/C20H34O6/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/h4,7,16-18,20,22,25H,2-3,5-6,8-14H2,1H3,(H,23,24)/b7-4-/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]1CCC(=O)CCCCC

Other Databases

PubChem CID

6443579

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 387.02

Topological Polar Surface Area 106.13

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 4.06

Molar Refractivity 100.16

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Created at

28th Jul 2025

Updated at