LIPID MAPS

Structure Database (LMSD)

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Common Name

11-dehydro-TXB2

Systematic Name

9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E-dien-1-oic acid

Synonyms

11-dehydro-Thromboxane B2

LM ID

LMFA03030004

Formula

C₂₀H₃₂O₆

Exact Mass

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368.21989

Sum Composition

FA 20:4;O4

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

KJYIVXDPWBUJBQ-UHHGALCXSA-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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1

SMILES (Click to copy)

C1[C@H](O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/[C@@H](O)CCCCC)OC1=O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Identification of 11-dehydro-TXB2 as a suitable parameter for monitoring thromboxane production in the human.,
Prostaglandins, 1986

Pubmed ID: 3755250

Other Databases

KEGG ID

C05964

HMDB ID

HMDB04242

CHEBI ID

28667

LIPIDBANK ID

XPR2121

PubChem CID

5280891

Cayman ID

19500

GuidePharm ID

4484

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings 0

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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