(7R)-hydroxy-(5S,6S)-epoxy-(8Z,11Z,14Z)-icosatrienoate (Q27105074)

CHEBI:75328 (English)

5 October 2016

chemical formula

C₂₀H₃₁O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC=CCC=CCC=CC(C1C(O1)CCCC(=O)[O-])O

1 reference

CHEBI:75328 (English)

5 October 2016

isomeric SMILES

CCCCC/C=C\C/C=C\C/C=C\[C@@H]([C@@H]1[C@@H](O1)CCCC(=O)[O-])O

1 reference

CHEBI:75328 (English)

InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(21)20-18(24-20)15-13-16-19(22)23/h6-7,9-10,12,14,17-18,20-21H,2-5,8,11,13,15-16H2,1H3,(H,22,23)/p-1/b7-6-,10-9-,14-12-/t17-,18-,20+/m0/s1

5 October 2016

Identifiers

InChI

1 reference

CHEBI:75328 (English)

RBULXUYPQCFJSA-CJSXLYMMSA-M

5 October 2016

InChIKey

2 references

CHEBI:75328 (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-{(2S,3R)-3-[(1S,2Z,5Z,8Z)-1-Hydroxy-2,5,8-tetradecatrien-1-yl]-2-oxiranyl}butanoate (English)

5 October 2016

2 references

CHEBI:75328 (English)

matched by identifier from

5 October 2016

InChIKey

RBULXUYPQCFJSA-CJSXLYMMSA-M

ChEBI ID

77919

mapping relation type

2 references

(7R)-hydroxy-(5S,6S)-epoxy-(8Z,11Z,14Z)-icosatrienoate (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(21)20-18(24-20)15-13-16-19(22)23/h6-7,9-10,12,14,17-18,20-21H,2-5,8,11,13,15-16H2,1H3,(H,22,23)/p-1/b7-6-,10-9-,14-12-/t17-,18-,20+/m0/s1

1 reference

2 references

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