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

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ChEBI Name beta-d-glucopyranosiduronic acid, 5-[3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1h-indol-1-yl]pentyl
ChEBI ID CHEBI:183904
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H37NO8
Net Charge 0
Average Mass 503.592
Monoisotopic Mass 503.25192
InChI InChI=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
InChIKey CMXUADKSHAPHSQ-CZLVRFMKSA-N
SMILES O=C(C1C(C1(C)C)(C)C)C=2C=3C(N(C2)CCCCCO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=CC=CC3
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
32741686 ChemSpider
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