Structure database (LMSD)

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LM IDLMFA03060080
Common Name15S-HETE-d8
Systematic Name15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid-d8
Synonyms-
Exact Mass
328.2854 (neutral)    Calculate m/z:
FormulaC20H24D8O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
PubChem CID16061122
KEGG IDC04742
HMDB IDHMDB03876
CHEBI ID15558
CAYMAN ID334720
InChIKeyJSFATNQSLKRBCI-JCAMWLGVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1/i4D,5D,8D,9D,10D,11D,17D,19D
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SMILES
C(O)(=O)CCC/C(/[2H])=C(/[2H])\C/C(/[2H])=C(/[2H])\C/C(/[2H])=C(/[2H])\C=C(/[2H])\[C@@]([2H])(O)CCCCC
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StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard