methyl 9-(alpha-D-galactosyloxy)nonanoate (Q27132438)

methyl ester octyl alpha-1O-D-mannopyrannoside

9-(methoxycarbonyl)nonyl alpha-D-galactoside (English)

7 October 2016

1 reference

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₃₀O₈

1 reference

9-(methoxycarbonyl)nonyl alpha-D-galactoside (English)

7 October 2016

canonical SMILES

COC(=O)CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O

1 reference

9-(methoxycarbonyl)nonyl alpha-D-galactoside (English)

7 October 2016

isomeric SMILES

COC(=O)CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

1 reference

9-(methoxycarbonyl)nonyl alpha-D-galactoside (English)

InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

9-(methoxycarbonyl)nonyl alpha-D-galactoside (English)

ZJZBQHWSENWEMY-CHUNWDLHSA-N

7 October 2016

InChIKey

2 references

9-(methoxycarbonyl)nonyl alpha-D-galactoside (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl 9-(alpha-D-galactopyranosyloxy)nonanoate (English)

7 October 2016

2 references

9-(methoxycarbonyl)nonyl alpha-D-galactoside (English)

matched by identifier from

7 October 2016

InChIKey

ZJZBQHWSENWEMY-CHUNWDLHSA-N

Reaxys registry number

5761129

1 reference

methyl 9-(alpha-D-galactosyloxy)nonanoate (English)

7 October 2016

ChEBI ID

63176

mapping relation type

2 references

methyl 9-(alpha-D-galactosyloxy)nonanoate (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16+/m1/s1

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

156994