12(R)-HPETE(1-) (Q27145173)

25 May 2022

mass

335.222234±0 dalton

1 reference

(5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate (English)

8 October 2016

1 reference

C₂₀H₃₁O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC=CCC(C=CC=CCC=CCCCC(=O)[O-])OO

1 reference

(5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate (English)

8 October 2016

isomeric SMILES

CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)[O-])OO

1 reference

(5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate (English)

InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1

8 October 2016

Identifiers

InChI

1 reference

(5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate (English)

ZIOZYRSDNLNNNJ-ZYBDYUKJSA-M

8 October 2016

InChIKey

2 references

(5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,8Z,10E,12R,14Z)-12-Hydroperoxy-5,8,10,14-icosatetraenoate (English)

8 October 2016

2 references

(5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate (English)

matched by identifier from

8 October 2016

InChIKey

ZIOZYRSDNLNNNJ-ZYBDYUKJSA-M

ChEBI ID

75230

mapping relation type

2 references

12(R)-HPETE(1-) (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1

1 reference

2 references

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