CHEBI:184010 - 4-ohe2-1-n7gua

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-ohe2-1-n7gua
ChEBI ID CHEBI:184010
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:28205206
Download Molfile XML SDF
Formula C23H27N5O4
Net Charge 0
Average Mass 437.500
Monoisotopic Mass 437.20630
InChI InChI=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
InChIKey FRKBGPSXUBCIFE-URRUNNDYSA-N
SMILES O[C@@H]1[C@@]2([C@]([C@]3([C@](CC2)(C4=C(CC3)C(O)=C(O)C=C4N5C6=C(N=C5)N=C(NC6=O)N)[H])[H])(CC1)[H])C
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 (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
31046568 ChemSpider
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