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CHEBI:183904 - beta-d-glucopyranosiduronic acid, 5-[3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1h-indol-1-yl]pentyl

ChEBI IDCHEBI:183904
ChEBI Namebeta-d-glucopyranosiduronic acid, 5-[3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1h-indol-1-yl]pentyl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO8
Net Charge0
Average Mass503.592
Monoisotopic Mass503.25192
SMILESCC1(C)C(C(=O)c2cn(CCCCCO[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)C1(C)C
InChIInChI=1S/C27H37NO8/c1-26(2)23(27(26,3)4)18(29)16-14-28(17-11-7-6-10-15(16)17)12-8-5-9-13-35-25-21(32)19(30)20(31)22(36-25)24(33)34/h6-7,10-11,14,19-23,25,30-32H,5,8-9,12-13H2,1-4H3,(H,33,34)/t19-,20-,21+,22-,25+/m0/s1
InChIKeyCMXUADKSHAPHSQ-CZLVRFMKSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
beta-d-glucopyranosiduronic acid, 5-[3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1h-indol-1-yl]pentyl (CHEBI:183904) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
32741686ChemSpider