13,14-dihydrolipoxin A4(1-) (Q27147764)

CHEBI:78329 (English)

8 October 2016

chemical formula

C₂₀H₃₃O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

CHEBI:78329 (English)

8 October 2016

isomeric SMILES

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

1 reference

CHEBI:78329 (English)

InChI=1S/C20H34O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,17-19,21-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,14-10+/t17-,18+,19-/m0/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:78329 (English)

WRFBDEURXXFJRY-ZREXUFMBSA-M

8 October 2016

InChIKey

2 references

CHEBI:78329 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5S,6R,7E,9E,11Z,15S)-5,6,15-Trihydroxy-7,9,11-icosatrienoate (English)

8 October 2016

2 references

CHEBI:78329 (English)

matched by identifier from

8 October 2016

InChIKey

WRFBDEURXXFJRY-ZREXUFMBSA-M

ChEBI ID

78329

mapping relation type

2 references

13,14-dihydrolipoxin A4(1-) (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H34O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,17-19,21-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,14-10+/t17-,18+,19-/m0/s1

1 reference

2 references

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