Structure Database (LMSD)

D D D D O O OH OH OH O
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
Formula
C20H28D4O6
Exact Mass
Calculate m/z
372.244998
Status
Active (Isotopically labelled standard)
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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