13-Hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid

CAS Registry Number®

90780-53-3
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CAS Name

13-Hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid

Molecular Formula

C22H32O3

Molecular Mass

344.49

Cite this Page

13-Hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90780-53-3 (retrieved 2024-09-19) (CAS RN: 90780-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C22H32O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,11-16,18,21,23H,2,5,8,10,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+

InChIKey

InChIKey=SEVOKGDVLLIUMT-SKSHMZPZNA-N

SMILES

C(C(/C=C/C=C\C/C=C\CC)O)/C=C\C/C=C\C/C=C\CCC(O)=O

Canonical SMILES

O=C(O)CCC=CCC=CCC=CCC(O)C=CC=CCC=CCC

Other Names for this Substance

  • 4,7,10,14,16,19-Docosahexaenoic acid, 13-hydroxy-, (4Z,7Z,10Z,14E,16Z,19Z)-
  • 4,7,10,14,16,19-Docosahexaenoic acid, 13-hydroxy-, (E,Z,Z,Z,Z,Z)-
  • (4Z,7Z,10Z,14E,16Z,19Z)-13-Hydroxy-4,7,10,14,16,19-docosahexaenoic acid
  • 13-Hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid

Deleted or Replaced CAS Registry Numbers

131391-60-1