(Q27225334)

(8S,9R)-EpETrE(1-) (English)

12 October 2016

1 reference

C₂₀H₃₁O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC=CCC=CCC1C(O1)CC=CCCCC(=O)[O-]

1 reference

(8S,9R)-EpETrE(1-) (English)

12 October 2016

isomeric SMILES

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

1 reference

(8S,9R)-EpETrE(1-) (English)

InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/p-1/b7-6-,12-9-,13-10-/t18-,19+/m1/s1

12 October 2016

Identifiers

InChI

1 reference

(8S,9R)-EpETrE(1-) (English)

DBWQSCSXHFNTMO-ZZMPYBMWSA-M

12 October 2016

InChIKey

2 references

(8S,9R)-EpETrE(1-) (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

(8S,9R)-EpETrE(1-) (English)

matched by identifier from

12 October 2016

InChIKey

DBWQSCSXHFNTMO-ZZMPYBMWSA-M

ChEBI ID

131974

mapping relation type

2 references

(8S,9R)-EET(1-) (English)

matched by identifier from

12 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/p-1/b7-6-,12-9-,13-10-/t18-,19+/m1/s1

1 reference

2 references

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