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CHEBI:184028 - beta-d-glucopyranosiduronic acid, 5-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]pentyl

ChEBI IDCHEBI:184028
ChEBI Namebeta-d-glucopyranosiduronic acid, 5-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]pentyl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H31NO8
Net Charge0
Average Mass533.577
Monoisotopic Mass533.20497
SMILESO=C(c1cccc2ccccc12)c1cn(CCCCCO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12
InChIInChI=1S/C30H31NO8/c32-24(21-13-8-10-18-9-2-3-11-19(18)21)22-17-31(23-14-5-4-12-20(22)23)15-6-1-7-16-38-30-27(35)25(33)26(34)28(39-30)29(36)37/h2-5,8-14,17,25-28,30,33-35H,1,6-7,15-16H2,(H,36,37)/t25-,26-,27+,28-,30+/m0/s1
InChIKeyMRLKIVNZXCRDEV-NEOPOEGOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
beta-d-glucopyranosiduronic acid, 5-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]pentyl (CHEBI:184028) is a indolecarboxamide (CHEBI:46921)
IUPAC Name 
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
29341496ChemSpider