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CHEBI:172738 - Perindopril Acyl-beta-D-glucuronide

ChEBI IDCHEBI:172738
ChEBI NamePerindopril Acyl-beta-D-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40N2O11
Net Charge0
Average Mass544.598
Monoisotopic Mass544.26321
SMILES[H][C@@]12CCCC[C@]1([H])N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)C(C(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C2
InChIInChI=1S/C25H40N2O11/c1-4-8-14(23(34)36-5-2)26-12(3)21(31)27-15-10-7-6-9-13(15)11-16(27)24(35)38-25-19(30)17(28)18(29)20(37-25)22(32)33/h12-20,25-26,28-30H,4-11H2,1-3H3,(H,32,33)/t12-,13-,14-,15-,16?,17?,18?,19?,20?,25?/m0/s1
InChIKeyVEYBPHDESXGJIN-VEYQHAJCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Perindopril Acyl-beta-D-glucuronide (CHEBI:172738) is a peptide (CHEBI:16670)
IUPAC Name 
6-[(3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060623HMDB
23936981ChemSpider