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CHEBI:75951 - protopanaxatriol

ChEBI IDCHEBI:75951
ChEBI Nameprotopanaxatriol
Stars
DefinitionA tetracyclic triterpenoid sapogenin (isolated from ginseng and notoginseng) that is that is dammarane which is substituted by hydroxy groups at the 3β, 6α, 12β and 20 pro-S positions and in which a double bond has been introduced at the 24-25 position.
Last Modified5 November 2019
SubmitterKAX
DownloadsMolfile
FormulaC30H52O4
Net Charge0
Average Mass476.742
Monoisotopic Mass476.38656
SMILES[H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@@](C)(O)CCC=C(C)C)CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1
InChIKeySHCBCKBYTHZQGZ-CJPZEJHVSA-N
Wikipedia
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)
protopanaxatriol (CHEBI:75951) has parent hydride dammarane (CHEBI:36488)
protopanaxatriol (CHEBI:75951) has role metabolite (CHEBI:25212)
protopanaxatriol (CHEBI:75951) is a 12β-hydroxy steroid (CHEBI:36847)
protopanaxatriol (CHEBI:75951) is a 3β-hydroxy steroid (CHEBI:36836)
protopanaxatriol (CHEBI:75951) is a 3β-hydroxy-4,4-dimethylsteroid (CHEBI:143563)
protopanaxatriol (CHEBI:75951) is a 6α-hydroxy steroid (CHEBI:36850)
protopanaxatriol (CHEBI:75951) is a sapogenin (CHEBI:26606)
protopanaxatriol (CHEBI:75951) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(3β,6α,12β)-dammar-24-ene-3,6,12,20-tetrol
Synonym  Source
dammar-24-ene-3β,6α,12β,20-tetrolSUBMITTER
UniProt Name  Source
(20S)-protopanaxatriolUniProt
Manual XrefsDatabases
US2011034403Patent
CPD-15447MetaCyc
ProtopanaxatriolWikipedia
Registry NumbersSources
Reaxys:5771276Reaxys
CAS:34080-08-5ChemIDplus
Citations