(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate (Q27124693)

(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate (English)

6 October 2016

chemical formula

C₂₀H₃₃O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate (English)

6 October 2016

isomeric SMILES

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

1 reference

(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate (English)

InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19?/m1/s1

6 October 2016

Identifiers

InChI

1 reference

(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate (English)

WPLPEZUSILBTGP-LTNYKQEOSA-M

6 October 2016

InChIKey

2 references

(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,9E,12R,14Z)-8,11,12-Trihydroxy-5,9,14-icosatrienoate (English)

6 October 2016

2 references

(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate (English)

matched by identifier from

6 October 2016

InChIKey

WPLPEZUSILBTGP-LTNYKQEOSA-M

ChEBI ID

57448

mapping relation type

2 references

(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate (English)