Structure Database (LMSD)

D D D D D O OH
Common Name
DHA (d5)
Systematic Name
4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid (d5)
Synonyms
LM ID
LMFA01030762
Formula
C22H27D5O2
Exact Mass
Calculate m/z
333.271615
Status
Active (Isotopically labelled standard)
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
MBMBGCFOFBJSGT-RPBOKJFVSA-N
InChi (Click to copy)
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/i1D3,2D2
SMILES (Click to copy)
C(=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C([2H])([2H])C([2H])([2H])[2H])/CCC(=O)O

References

Comments
Synthetic deuterated standard

Taxonomy Information

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

Other Databases

Wikipedia
Docosahexaenoic_acid
HMDB ID
HMDB02183
CHEBI ID
28125
PubChem CID
24778483
Cayman ID
27357

Admin

Created at
-
Updated at
29th Jan 2021