pennogenin (CHEBI:71824)

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CHEBI:71824 - pennogenin

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ChEBI ID	CHEBI:71824
ChEBI Name	pennogenin
Stars
Definition	An oxaspiro compound that is spirost-5-en substituted by hydroxy groups at positions 3 and 17 (3β,25R stereoisomer).
Last Modified	25 April 2017
Submitter	namrata
Downloads	Molfile

Formula	C27H42O4
Net Charge	0
Average Mass	430.629
Monoisotopic Mass	430.30831
SMILES	[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@]12O
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

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)
	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 Relation(s)
	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 Numbers	Sources
Reaxys:53988	Reaxys