CHEBI:71824 - pennogenin

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ChEBI Name pennogenin
ChEBI ID CHEBI:71824
Definition An oxaspiro compound that is spirost-5-en substituted by hydroxy groups at positions 3 and 17 (3β,25R stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H42O4
Net Charge 0
Average Mass 430.62000
Monoisotopic Mass 430.30831
InChI InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey SYYHBUHOUUETMI-WJOMMTHPSA-N
SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1(O)[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing pennogenin (CHEBI:71824) has parent hydride spirostan (CHEBI:26745)
pennogenin (CHEBI:71824) has role metabolite (CHEBI:25212)
pennogenin (CHEBI:71824) is a 17α-hydroxy steroid (CHEBI:35342)
pennogenin (CHEBI:71824) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
pennogenin (CHEBI:71824) is a organic heterohexacyclic compound (CHEBI:51914)
pennogenin (CHEBI:71824) is a oxaspiro compound (CHEBI:37948)
pennogenin (CHEBI:71824) is a sapogenin (CHEBI:26606)
Incoming floribundasaponin A (CHEBI:65901) has functional parent pennogenin (CHEBI:71824)
mannioside A (CHEBI:66665) has functional parent pennogenin (CHEBI:71824)
IUPAC Name
(3β,25R)-spirost-5-en-3,17-diol
Synonym Source
(25R)-spirost-5-ene-3β,17-diol ChEBI
Registry Number Type Source
53988 Reaxys Registry Number Reaxys
Last Modified
25 April 2017