Structure database (LMSD)

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LM IDLMFA03010008
Common NamePGE2-d4 (W)
Systematic Name11R,15S-dihydroxy-9-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4)
SynonymsProstaglandin E2-d4
Exact Mass
356.2497 (neutral)    Calculate m/z:
FormulaC20H28D4O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
PubChem CID5283031
KEGG IDC00584
HMDB IDHMDB01220
CHEBI ID15551
CAYMAN ID10007273
InChIKeyXEYBRNLFEZDVAW-YOLMOHOWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1/i5D2,8D2
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SMILES
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1C/C=C\C([2H])([2H])C([2H])([2H])CC(=O)O
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MS StandardView lipid standard
StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard