glucobrassicin (Q906037)

Gene Ontology release 2019-11-16

indole glucosinolate metabolic process

subject has role

participant

1 reference

Gene Ontology release 2020-05-02

indole glucosinolate catabolic process

subject has role

reactant

1 reference

Gene Ontology release 2020-05-02

chemical structure

Glucobrassicin structure.svg
660 × 585; 48 KB

0 references

Glucobrassicin.svg
470 × 333; 26 KB

0 references

mass

448.061 dalton

1 reference

indolylmethyl glucosinolate (English)

5 October 2016

2 references

inferred from InChIKey

indolylmethylglucosinolate

2 references

inferred from InChIKey

[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate

1 reference

[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate

1 reference

[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate

1 reference

[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate

1 reference

chemical formula

C₁₆H₂₀N₂O₉S₂

1 reference

indolylmethyl glucosinolate (English)

5 October 2016

canonical SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O

1 reference

indolylmethyl glucosinolate (English)

5 October 2016

isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

1 reference

indolylmethyl glucosinolate (English)

imported from Wikimedia project

5 October 2016

found in taxon

broccoli

1 reference

English Wikipedia

Isatis tinctoria

2 references

imported from Wikimedia project

English Wikipedia

Two natural indole glucosinolates from Brassicaceae

Capparis spinosa

1 reference

Indole glucosinolates of Capparis spinosa

Brassica oleracea

4 references

Two natural indole glucosinolates from Brassicaceae

The isolation and purification of indole glucosinolates from Brassica species

High-performance liquid chromatographic analysis of anticarcinogenic indoles in Brassica oleracea

Glucosinolates of wild and cultivated Brassica species

Lepidium peruvianum

1 reference

Glucosinolate contents in maca (Lepidium peruvianum Chacón) seeds, sprouts, mature plants and several derived commercial products

rapeseed

3 references

The isolation and purification of indole glucosinolates from Brassica species

Separation and determination of intact glucosinolates in rapeseed by high-performance liquid chromatography

Tovaria pendula

1 reference

1-acetyl-S-indolylmethylglucosinolate in Seedlings of Tovaria pendula Ruiz et Pav.

Moricandia arvensis

1 reference

An indole derivative and glucosinolates from Moricandia arvensis

Brassica rapa

2 references

Glucosinolates of wild and cultivated Brassica species

Brassica campestris

1 reference

Brassica napobrassica

1 reference

Brassica montana

1 reference

Glucosinolates of wild and cultivated Brassica species

Hirschfeldia incana

1 reference

Glucosinolates of wild and cultivated Brassica species

Brassica incana

1 reference

Glucosinolates of wild and cultivated Brassica species

Brassica rupestris

1 reference

Glucosinolates of wild and cultivated Brassica species

Brassica macrocarpa

1 reference

Glucosinolates of wild and cultivated Brassica species

Brassica insularis

1 reference

Glucosinolates of wild and cultivated Brassica species

Brassica cretica

1 reference

Glucosinolates of wild and cultivated Brassica species

Dimorphocarpa wislizenii

1 reference

Updated glucosinolate profile of Dithyrea wislizenii

Dimorphocarpa wislizeni

1 reference

Updated glucosinolate profile of Dithyrea wislizenii

Lepidium meyenii

1 reference

Glucosinolate contents in maca (Lepidium peruvianum Chacón) seeds, sprouts, mature plants and several derived commercial products

Identifiers

InChI

InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/t11-,13-,14 ,15-,16 /m1/s1

1 reference

indolylmethyl glucosinolate (English)

5 October 2016

2 references

indolylmethyl glucosinolate (English)

5 October 2016

ChEBI release 2020-09-01

2 references

glucobrassicin (English)

5 October 2016

https://commonchemistry.cas.org/detail?cas_rn=4356-52-9

10 April 2021

1 reference

1-S-[2-(1H-Indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose (English)

5 October 2016

2 references

indolylmethyl glucosinolate (English)

matched by identifier from

5 October 2016

Reaxys registry number

504069

1 reference

glucobrassicin (English)

5 October 2016

ChEBI ID

29028

mapping relation type

2 references

glucobrassicin (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/t11-,13-,14 ,15-,16 /m1/s1

1 reference

splash10-0a91-0090200000-4c93915a8f98fb854103

0 references

splash10-0002-7000950000-1056f1c3534bc1856188

0 references

splash10-0a4i-0095000000-46ec1128325290302393

0 references

splash10-003r-0943520000-5ba3ecba21075c5033d6

0 references

splash10-0pdi-0095000000-22a32e5819cf69da30fb

0 references

DSSTox substance ID

DTXSID60963046

1 reference

matched by identifier from

DSSTOX compound identifier

DTXCID601390818

0 references

EC number

805-227-6

0 references

ECHA Substance Infocard ID

100.231.968

0 references

Human Metabolome Database ID

0 references

1 reference

glucobrassicin (English)