Structure database (LMSD)

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LM IDLMFA03030011
Common Name11-dehydro-TXB2-d4
Systematic Name9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E-dien-1-oic acid-d4
Synonyms11-dehydro-Thromboxane B2-d4
Exact Mass
372.2446 (neutral)    Calculate m/z:
FormulaC20H28D4O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassThromboxanes [FA0303]
PubChem CID24778496
CHEBI ID28667
CAYMAN ID319500
InChIKeyKJYIVXDPWBUJBQ-DDHOZZTNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
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
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MS StandardView lipid standard
StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard