Structure Database (LMSD)

Common Name
11-Dehydro-13,14-dihydro-15-keto-thromboxane B2
Systematic Name
9S-hydroxy-11,15-dioxo-thromboxa-5Z-en-1-oic acid
Synonyms
  • 11-Dehydro-13,14-dihydro-15-keto-TxB2
  • 15KD 11-dehydro TxB2
LM ID
LMFA03030018
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

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Thromboxanes [FA0303]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]
Oxo fatty acids [FA0106]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Long-lived enzymatic metabolites of thromboxane B2 in the human circulation.,
Anal Biochem, 1986
Pubmed ID: 3087234

String Representations

InChiKey (Click to copy)
INLXNIDWQWYGDW-OKYBNHCASA-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/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,23,24)/b7-4-/t16-,17-,18+/m0/s1
SMILES (Click to copy)
C1[C@H](O)[C@H](C/C=C\CCCC(=O)O)[C@@H](CCC(=O)CCCCC)OC1=O

Other Databases

PubChem CID
129010935

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 384.38
Topological Polar Surface Area 102.97
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.98
Molar Refractivity 98.64

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Created at
28th Jul 2025
Updated at
28th Jul 2025