1-stearoyl-2-docosahexanoyl-sn-glycero-3-phosphoethanolamine (Q27258849)

UNII-45LA45375S (English)

14 October 2016

chemical formula

C₄₅H₇₈NO₈P

1 reference

UNII-45LA45375S (English)

14 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN

1 reference

UNII-45LA45375S (English)

14 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN

1 reference

UNII-45LA45375S (English)

InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t43-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-45LA45375S (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-45LA45375S (English)

14 October 2016

2 references

UNII

45LA45375S

1-stearoyl-2-docosahexanoyl-sn-glycero-3-phosphoethanolamine (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1279692-77-1

9 April 2021

1 reference

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate (English)

14 October 2016

2 references

UNII-45LA45375S (English)

14 October 2016

1 reference

1 reference

Human Metabolome Database ID

HMDB0009684

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

UNII

45LA45375S

2 references

stated in

UNII

45LA45375S

1-stearoyl-2-docosahexanoyl-sn-glycero-3-phosphoethanolamine (English)

14 October 2016

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

1 reference

30 June 2018

2 references

https://www.swisslipids.org/#/downloads

6 November 2021