Structure Database (LMSD)

D D D D OH HO HO OH N H O
Common Name
PGF2alpha-EA(d4)
Systematic Name
N-(9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl)-ethanolamine(d4)
Synonyms
  • PGF2alpha-ethanolamine(d4)
LM ID
LMFA03010207
Formula
C22H35D4NO5
Exact Mass
Calculate m/z
401.307932
Status
Active (Isotopically labelled standard)
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

String Representations

InChiKey (Click to copy)
XCVCLIRZZCGEMU-BREJCMGSSA-N
InChi (Click to copy)
InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-,21+/m0/s1/i5D2,8D2
SMILES (Click to copy)
C([C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC)/C=C\C([2H])([2H])C([2H])([2H])CC(NCCO)=O

References

Comments
Synthetic deuterated standard

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

Other Databases

PubChem CID
44256511
Cayman ID
316013

Admin

Created at
-
Updated at
29th Jan 2021