8-Methylthiooctyl glucosinolate (Q27154958)

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-9-methylsulfanyl-N-sulfooxynonanimidothioate

8-methylthiooctyl glucosinolate (English)

9 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₃₁NO₉S₃

1 reference

8-methylthiooctyl glucosinolate (English)

9 October 2016

canonical SMILES

CSCCCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O

1 reference

8-methylthiooctyl glucosinolate (English)

9 October 2016

isomeric SMILES

CSCCCCCCCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

1 reference

8-methylthiooctyl glucosinolate (English)

InChI=1S/C16H31NO9S3/c1-27-9-7-5-3-2-4-6-8-12(17-26-29(22,23)24)28-16-15(21)14(20)13(19)11(10-18)25-16/h11,13-16,18-21H,2-10H2,1H3,(H,22,23,24)/t11-,13-,14+,15-,16+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

8-methylthiooctyl glucosinolate (English)

CWOJBEDMJKZKAB-JZYAIQKZSA-N

9 October 2016

InChIKey

2 references

8-methylthiooctyl glucosinolate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-S-[9-(Methylsulfanyl)-N-(sulfooxy)nonanimidoyl]-1-thio-beta-D-glucopyranose (English)

9 October 2016

1 reference

8-methylthiooctyl glucosinolate (English)

9 October 2016

ChEBI ID

80989

mapping relation type

1 reference

8-Methylthiooctyl glucosinolate (English)

9 October 2016

1 reference

0 references

1 reference

8-Methylthiooctyl glucosinolate (English)