(Q27136997)

CHEBI:68529 (English)

2-palmitoyl-1-cis-vaccenoyl-3-alpha-D-glucosyl-sn-glycerol

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₈₀O₁₀

1 reference

CHEBI:68529 (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCCCC=CCCCCCC

1 reference

CHEBI:68529 (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCCCC/C=C\CCCCCC

1 reference

CHEBI:68529 (English)

InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,36-37,40-44,47-49H,3-12,14,16-35H2,1-2H3/b15-13-/t36-,37-,40+,41+,42-,43+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:68529 (English)

ZRLBVFCUWBATSB-UJGDELRESA-N

7 October 2016

InChIKey

2 references

CHEBI:68529 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-3-(alpha-D-Galactopyranosyloxy)-2-(palmitoyloxy)propyl (11Z)-11-octadecenoate (English)

7 October 2016

2 references

CHEBI:68529 (English)

matched by identifier from

7 October 2016

InChIKey

ZRLBVFCUWBATSB-UJGDELRESA-N

ChEBI ID

68529

mapping relation type

2 references

2-palmitoyl-1-cis-vaccenoyl-3-alpha-D-galactosyl-sn-glycerol (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,36-37,40-44,47-49H,3-12,14,16-35H2,1-2H3/b15-13-/t36-,37-,40+,41+,42-,43+/m1/s1

1 reference

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

178094