12-HPEPE (Q27148022)

(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxyicosa-5,8,10,14,17-pentaenoic acid (English)

8 October 2016

chemical formula

C₂₀H₃₀O₄

1 reference

(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxyicosa-5,8,10,14,17-pentaenoic acid (English)

8 October 2016

canonical SMILES

CCC=CCC=CCC(C=CC=CCC=CCCCC(=O)O)OO

1 reference

(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxyicosa-5,8,10,14,17-pentaenoic acid (English)

8 October 2016

isomeric SMILES

CC/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CCCC(=O)O)OO

1 reference

(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxyicosa-5,8,10,14,17-pentaenoic acid (English)

InChI=1S/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13-14,17,19,23H,2,5-6,12,15-16,18H2,1H3,(H,21,22)/b4-3-,9-7-,11-8-,13-10-,17-14+

8 October 2016

Identifiers

InChI

1 reference

(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxyicosa-5,8,10,14,17-pentaenoic acid (English)

HDMYXONNVAOHFR-QGQBRVLBSA-N

8 October 2016

InChIKey

2 references

(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxyicosa-5,8,10,14,17-pentaenoic acid (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxy-5,8,10,14,17-icosapentaenoic acid (English)

8 October 2016

2 references

(5Z,8Z,10E,14Z,17Z)-12-Hydroperoxyicosa-5,8,10,14,17-pentaenoic acid (English)

matched by identifier from

8 October 2016

InChIKey

HDMYXONNVAOHFR-QGQBRVLBSA-N

ChEBI ID

78909

mapping relation type

2 references

12-HPEPE (English)