Structure Database (LMSD)

Common Name
11-dehydro-TXB2-d4
Systematic Name
9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E-dien-1-oic acid-d4
Synonyms
  • 11-dehydro-Thromboxane B2-d4
LM ID
LMFA03030011
Status
Active (Isotopically labelled standard)
Exact Mass
Calculate m/z
372.244998
Formula
C20H28D4O6
Show lipids differing only in stereochemistry/bond geometry
View lipid standard
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)
KJYIVXDPWBUJBQ-DDHOZZTNSA-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/i5D2,8D2
SMILES (Click to copy)
C1[C@H](O)[C@H](C/C=C\C([2H])([2H])C([2H])([2H])CC(=O)O)[C@@H](/C=C/[C@@H](O)CCCCC)OC1=O

References

Comments
Synthetic deuterated standard

Taxonomy Information

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

Other Databases

CHEBI ID
28667
PubChem CID
24778496
Cayman ID
319500

Admin

Created at
-
Updated at
29th Jan 2021