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CHEBI:184340 - 2-(Hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]oxy}oxane-3,4,5-triol

Default Structure
ChEBI IDCHEBI:184340
ChEBI Name2-(Hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]oxy}oxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H35NO14
Net Charge0
Average Mass513.493
Monoisotopic Mass513.20575
SMILESOCC1=CC(NC2C(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C(CO)C2O)C(O)C(O)C1O
InChIInChI=1S/C20H35NO14/c22-2-5-1-7(12(27)15(30)10(5)25)21-9-11(26)6(3-23)19(17(32)14(9)29)35-20-18(33)16(31)13(28)8(4-24)34-20/h1,6-33H,2-4H2
InChIKeyQYKWCMVFBWGYRE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
2-(Hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]oxy}oxane-3,4,5-triol (CHEBI:184340) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(hydroxymethyl)-6-[2,3,5-trihydroxy-6-(hydroxymethyl)-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxyoxane-3,4,5-triol
Manual XrefsDatabases
19740349ChemSpider
HMDB0036593HMDB