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CHEBI:183884 - 3-hydroxystanozolol glucuronide

ChEBI IDCHEBI:183884
ChEBI Name3-hydroxystanozolol glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40N2O8
Net Charge0
Average Mass520.623
Monoisotopic Mass520.27847
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(C)O)[C@@]1(C)Cc1c(nnc1O[C@@H]1OC(C(=O)O)[C@@H](O)C(O)C1O)C2
InChIInChI=1S/C27H40N2O8/c1-25-11-14-17(28-29-22(14)37-24-20(32)18(30)19(31)21(36-24)23(33)34)10-12(25)4-5-13-15(25)6-8-26(2)16(13)7-9-27(26,3)35/h12-13,15-16,18-21,24,30-32,35H,4-11H2,1-3H3,(H,28,29)(H,33,34)/t12-,13+,15-,16-,18?,19-,20?,21?,24-,25-,26-,27-/m0/s1
InChIKeyMKNGATFAUPNAHP-VIVRUWSXSA-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)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxystanozolol glucuronide (CHEBI:183884) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(3S,6S)-3,4,5-trihydroxy-6-[[(1S,2S,10S,13R,14S,17S,18S)-17-hydroxy-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-5-yl]oxy]oxane-2-carboxylic acid