Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03030010
Common NameTXB2-d4 (W)
Systematic Name9S,11,15S-trihydroxy-thromboxa-5Z,13E-dien-1-oic acid-d4
SynonymsThromboxane B2-d4
Exact Mass
374.2606 (neutral)    Calculate m/z:
FormulaC20H30D4O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassThromboxanes [FA0303]
PubChem CID16061116
KEGG IDC05963
HMDB IDHMDB03252
CHEBI ID28728
CAYMAN ID319030
InChIKeyXNRNNGPBEPRNAR-LCGOHBJFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
Click to highlight InChI
SMILES
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
Click to highlight SMILES
Ion mobilityView Ion mobility data
StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard