Structure Database (LMSD)

Common Name
TXB2-d4
Systematic Name
9S,11,15S-trihydroxy-thromboxa-5Z,13E-dien-1-oic acid-d4
Synonyms
  • Thromboxane B2-d4
LM ID
LMFA03030010
Status
Active (Isotopically labelled standard)
Exact Mass
Calculate m/z
374.260648
Formula
C20H30D4O6
Show lipids differing only in stereochemistry/bond geometry
View ion mobility data
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Thromboxanes [FA0303]

String Representations

InChiKey (Click to copy)
XNRNNGPBEPRNAR-LCGOHBJFSA-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/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1/i5D2,8D2
SMILES (Click to copy)
C(O)(=O)CC([2H])([2H])C([2H])([2H])/C=C\C[C@H]1[C@@H](O)CC(O)O[C@@H]1/C=C/[C@@H](O)CCCCC

References

Comments
Synthetic deuterated standard

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

Other Databases

Wikipedia
Thromboxane_B2
KEGG ID
C05963
HMDB ID
HMDB03252
CHEBI ID
28728
PubChem CID
16061116
Cayman ID
319030

Admin

Created at
-
Updated at
29th Jan 2021