(Q27140114)

LysoPE(0:0/20:4(8Z,11Z,14Z,17Z)) (English)

7 October 2016

chemical formula

C₂₅H₄₄NO₇P

1 reference

LysoPE(0:0/20:4(8Z,11Z,14Z,17Z)) (English)

7 October 2016

canonical SMILES

CCC=CCC=CCC=CCC=CCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN

1 reference

LysoPE(0:0/20:4(8Z,11Z,14Z,17Z)) (English)

7 October 2016

isomeric SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN

1 reference

LysoPE(0:0/20:4(8Z,11Z,14Z,17Z)) (English)

InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h3-4,6-7,9-10,12-13,24,27H,2,5,8,11,14-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-/t24-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

LysoPE(0:0/20:4(8Z,11Z,14Z,17Z)) (English)

7 October 2016

2 references

LysoPE(0:0/20:4(8Z,11Z,14Z,17Z)) (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate (English)

7 October 2016

2 references

LysoPE(0:0/20:4(8Z,11Z,14Z,17Z)) (English)

7 October 2016

ChEBI ID

72746

mapping relation type

2 references

lysophosphatidylethanolamine 0:0/20:4(8Z,11Z,14Z,17Z) (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h3-4,6-7,9-10,12-13,24,27H,2,5,8,11,14-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-/t24-/m1/s1

1 reference

Human Metabolome Database ID

HMDB0011488

2 references

based on heuristic

inferred from InChIKey

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