About: Glucoerucin(RG)

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About: Glucoerucin(RG) Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

chemical compound

Attributes	Values
rdf:type	Item
description	composto chimico (it) химическое соединение (ru) chemical compound (en) composé chimique (fr) תרכובת (he) kemisk forbindelse (da) compositum chemicum (la) chemische Verbindung (de) քիմիական միացություն (hy) chemická sloučenina (cs) chemická zlúčenina (sk) chemische verbinding (nl) kemia kombinaĵo (eo) związek chemiczny (pl) chemical compound (en-ca) chemical compound (en-gb) chemiese verbinding (af) chemische Verbindung (de-ch) component quimic (oc) compost químic (ca) composto químico (gl) composto químico (pt) composto químico (pt-br) compuesto quimico (an) compuestu químicu (ast) compus chimic (ro) kemiallinen yhdiste (fi) kjemisk forbindelse (nb) kjemisk sambinding (nn) komponim kimik (sq) konposatu kimiko (eu) senyawa kimia (id) ķīmisks savienojums (lv) хімічна сполука (uk) مركب كيميائي (ar) রাসায়নিক যৌগ (bn) compuesto químico (es) payvastagii khimiyaviy (tg-latn) пайвастагии химиявӣ (tg-cyrl) chemesch Verbindung (lb)
rdfs:label	Glucoerucin(RG) (en)
skos:prefLabel	Glucoerucin(RG) (en)
name	Glucoerucin(RG) (en)
isomeric SMILES	wds:Q115949449-4BADF98F-6132-46C2-901C-FC56BC205F6F
stereoisomer of	wds:Q115949449-68EBFCD4-597A-4D21-A78B-70693CDE7058 wds:Q115949449-E9F35FE0-7C45-4CA5-B47A-2251D77EB1FD
isomeric SMILES	CSCCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
stereoisomer of	[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-methylsulfanyl-N-sulfooxypentanimidothioate 4-Methylthiobutyl glucosinolate
instance of	wds:Q115949449-C933B0A7-2091-4335-BFFF-BFAC58110930
instance of	type of chemical entity
subclass of	wds:Q115949449-367376C4-FF22-4561-9C9C-96ED8E3238A2 wds:Q115949449-B6567CBC-A369-495F-A93C-52E043369D0A
subclass of	[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfanyl-N-sulfooxypentanimidothioate (Methylsulfanyl)butyl glucosinolate
found in taxon	wds:Q115949449-3ADFEB12-BAB0-4DCA-BCDF-D90D634123B5
found in taxon	Eruca sativa
UniChem compound ID	wds:Q115949449-C6C4045C-7FBE-428E-8CDE-8EF2DC79DC3E
canonical SMILES	wds:Q115949449-6B67E7DB-504F-433A-B8A3-303C902F1D29
InChI	wds:Q115949449-8091A227-5D37-4C54-AC5C-237A5C571FDD
InChIKey	wds:Q115949449-39DA1392-07A7-46EB-A386-2F462FB02F9E
chemical formula	wds:Q115949449-6E775A1F-608D-4B99-B7A9-417737CF6908
PubChem CID	wds:Q115949449-5E09A00A-BD55-4726-B6E3-02D2A3E49BBD
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID9548895
UniChem compound ID	50331497
canonical SMILES	O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCCSC
InChI	InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8+/t7-,9-,10+,11-,12+/m1/s1
InChIKey	GKUMMDFLKGFCKH-KALKGZTMSA-N
chemical formula	C₁₂H₂₃NO₉S₃
PubChem CID	9548895
mass	wds:Q115949449-B3A18E19-417B-4D18-A90D-9CA8E47C8584
mass	421.053494316 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q115949449
is stereoisomer of of	[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-methylsulfanyl-N-sulfooxypentanimidothioate 4-Methylthiobutyl glucosinolate
is stereoisomer of of	wds:Q105010335-6B69329D-5A22-4B72-9438-1658103018BC wds:Q105010330-ADAE615F-6218-49E5-BF39-37E1B0329A2C
is main subject of	Naturally occurring glucosinolates in plant extracts of rocket salad (Eruca sativa L.) identified by liquid chromatography coupled with negative ion electrospray ionization and quadrupole ion-trap mass spectrometry
is main subject of	wds:Q80525047-273D5FE6-6B81-4670-B12E-391DB4B63E9C

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