EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:68357
ChEBI Name25-hydroxy-3-epidehydrotumulosic acid
Stars
DefinitionA 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.
Last Modified13 January 2014
DownloadsMolfile
FormulaC31H48O5
Net Charge0
Average Mass500.720
Monoisotopic Mass500.35017
SMILES[H][C@]1([C@@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=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
InChIKeyGDIGQYHXIOMOQU-NEAGZGJDSA-N
Species of MetaboliteComponentSourceComments
Poria cocos (ncbitaxon:87299) sclerotium (BTO:0001810) PubMed (21250700)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:7319170Reaxys
Citations