(Q27451595)

(9Z)-11-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-9-undecenoic acid (English)

19 October 2016

chemical formula

C₁₈H₃₀O₃

1 reference

stated in

RCSB protein data bank

PDB ligand ID

10X

16 February 2021

canonical SMILES

CCC=CCC1C(O1)CC=CCCCCCCCC(=O)O

1 reference

(9Z)-11-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-9-undecenoic acid (English)

19 October 2016

isomeric SMILES

CC/C=C\CC1C(O1)C/C=C\CCCCCCCC(=O)O

1 reference

(9Z)-11-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-9-undecenoic acid (English)

InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-/t16-,17-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(9Z)-11-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-9-undecenoic acid (English)

BKKGUKSHPCTUGE-WXDGQRKDSA-N

19 October 2016

InChIKey

1 reference

(9Z)-11-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-9-undecenoic acid (English)

19 October 2016

1 reference

(9Z)-11-{(2S,3S)-3-[(2Z)-2-Penten-1-yl]-2-oxiranyl}-9-undecenoic acid (English)

19 October 2016

1 reference

RCSB PDB - 10X Ligand Summary Page (English)

stated in

RCSB protein data bank

https://www.rcsb.org/ligand/10X

22 February 2021

reference URL

1 reference

0 references

1 reference

4H6B (English)