N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide (Q27459949)

CID71299334 (English)

19 October 2016

chemical formula

C₃₆H₆₉NO₁₁S

1 reference

CID71299334 (English)

19 October 2016

canonical SMILES

CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O

1 reference

CID71299334 (English)

19 October 2016

isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O

1 reference

CID71299334 (English)

InChI=1S/C36H69NO11S/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(37-32(40)26-24-22-20-17-12-10-8-6-4-2)28-46-36-34(42)35(48-49(43,44)45)33(41)31(27-38)47-36/h23,25,29-31,33-36,38-39,41-42H,3-22,24,26-28H2,1-2H3,(H,37,40)(H,43,44,45)/b25-23+/t29-,30+,31+,33-,34+,35-,36+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CID71299334 (English)

FWVDYZZBQLRRDU-AZNTWQPMSA-N

19 October 2016

InChIKey

1 reference

CAS (formerly Chemical Abstracts Service)

CID71299334 (English)

19 October 2016

1 reference

25 January 2022

1 reference

N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]-4-octadecen-2-yl}dodecanamide (English)

19 October 2016

1 reference

CID71299334 (English)

19 October 2016

1 reference

0 references

0 references

1 reference

4GHP (English)

19 October 2016

1 reference

4GH0 (English)

19 October 2016

1 reference

4GXG (English)

19 October 2016

1 reference

4H2Z (English)