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CHEBI:184010 - 4-ohe2-1-n7gua

ChEBI IDCHEBI:184010
ChEBI Name4-ohe2-1-n7gua
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27N5O4
Net Charge0
Average Mass437.500
Monoisotopic Mass437.20630
SMILES[H][C@@]12CCc3c(O)c(O)cc(-n4cnc5nc(N)nc(=O)c54)c3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C23H27N5O4/c1-23-7-6-11-10(13(23)4-5-16(23)30)2-3-12-17(11)14(8-15(29)19(12)31)28-9-25-20-18(28)21(32)27-22(24)26-20/h8-11,13,16,29-31H,2-7H2,1H3,(H3,24,26,27,32)/t10-,11+,13+,16+,23+/m1/s1
InChIKeyFRKBGPSXUBCIFE-URRUNNDYSA-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)
4-ohe2-1-n7gua (CHEBI:184010) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
2-amino-7-[(8R,9S,13S,14S,17S)-3,4,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl]-1H-purin-6-one
Manual XrefsDatabases
31046568ChemSpider