CHEBI:68357 - 25-hydroxy-3-epidehydrotumulosic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 25-hydroxy-3-epidehydrotumulosic acid
ChEBI ID CHEBI:68357
Definition A tetracyclic triterpenoid that is lanosta-7,9(11)-dien-21-oic acid substituted by hydroxy groups at positions 3, 16 and 25 and a methylidene group at position 24. It has been isolated from Poria cocos.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H48O5
Net Charge 0
Average Mass 500.70980
Monoisotopic Mass 500.35017
InChI InChI=1S/C31H48O5/c1-18(28(4,5)36)9-10-19(26(34)35)25-22(32)17-31(8)21-11-12-23-27(2,3)24(33)14-15-29(23,6)20(21)13-16-30(25,31)7/h11,13,19,22-25,32-33,36H,1,9-10,12,14-17H2,2-8H3,(H,34,35)/t19-,22-,23+,24-,25+,29-,30-,31+/m1/s1
InChIKey GDIGQYHXIOMOQU-NEAGZGJDSA-N
SMILES CC(C)(O)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
Metabolite of Species Details
Poria cocos (NCBI:txid87299) Found in sclerotium (BTO:0001810). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 25-hydroxy-3-epidehydrotumulosic acid (CHEBI:68357) has parent hydride lanostane (CHEBI:20265)
25-hydroxy-3-epidehydrotumulosic acid (CHEBI:68357) has role fungal metabolite (CHEBI:76946)
25-hydroxy-3-epidehydrotumulosic acid (CHEBI:68357) is a monocarboxylic acid (CHEBI:25384)
25-hydroxy-3-epidehydrotumulosic acid (CHEBI:68357) is a secondary alcohol (CHEBI:35681)
25-hydroxy-3-epidehydrotumulosic acid (CHEBI:68357) is a tertiary alcohol (CHEBI:26878)
25-hydroxy-3-epidehydrotumulosic acid (CHEBI:68357) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
(3α,16α)-3,16,25-trihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid
Registry Number Type Source
7319170 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21250700 PubMed citation Europe PMC
Last Modified
13 January 2014