CHEBI:75951 - protopanaxatriol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name protopanaxatriol
ChEBI ID CHEBI:75951
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C30H52O4
Net Charge 0
Average Mass 476.73150
Monoisotopic Mass 476.38656
InChI InChI=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
InChIKey SHCBCKBYTHZQGZ-CJPZEJHVSA-N
SMILES CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
(20S)-protopanaxatriol UniProt
dammar-24-ene-3β,6α,12β,20-tetrol SUBMITTER
Manual Xrefs Databases
CPD-15447 MetaCyc
Protopanaxatriol Wikipedia
US2011034403 Patent
View more database links
Registry Numbers Types Sources
34080-08-5 CAS Registry Number ChemIDplus
5771276 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22736593 PubMed citation Europe PMC
22875608 PubMed citation SUBMITTER
23022533 PubMed citation Europe PMC
23194536 PubMed citation Europe PMC
23376775 PubMed citation Europe PMC
23391424 PubMed citation Europe PMC
23596560 PubMed citation Europe PMC
23626474 PubMed citation Europe PMC
24136471 PubMed citation Europe PMC
Last Modified
05 November 2019