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CHEBI:185721 - Perindoprilat glucuronide

ChEBI IDCHEBI:185721
ChEBI NamePerindoprilat glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36N2O11
Net Charge0
Average Mass516.544
Monoisotopic Mass516.23191
SMILES[H][C@@]12CCCC[C@]1([H])N(C(=O)C(C)NC(CC)C(=O)O)[C@H](C(=O)O[C@]1(C(=O)O)O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C23H36N2O11/c1-4-13(20(30)31)24-10(2)19(29)25-14-8-6-5-7-12(14)9-15(25)21(32)36-23(22(33)34)18(28)17(27)16(26)11(3)35-23/h10-18,24,26-28H,4-9H2,1-3H3,(H,30,31)(H,33,34)/t10?,11-,12+,13?,14+,15+,16-,17+,18-,23-/m1/s1
InChIKeyDCYRDAKXQLERQS-FQCHSDBKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Perindoprilat glucuronide (CHEBI:185721) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[(2S,3aS,7aS)-1-[2-(1-carboxypropylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060863HMDB
156622ChemSpider
Registry NumbersSources
CAS:120381-56-8ChemIDplus