EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69635 - 3β,15α,22-trihydroxyhopane

ChEBI IDCHEBI:69635
ChEBI Name3β,15α,22-trihydroxyhopane
Stars
ASCII Name3beta,15alpha,22-trihydroxyhopane
DefinitionA hopanoid that is hopane substituted by hydroxy groups at positions 3, 15 and 22 respectively (the (3β,15α-stereoisomer). It has been isolated from Hypocrella species.
Last Modified26 May 2015
DownloadsMolfile
FormulaC30H52O3
Net Charge0
Average Mass460.743
Monoisotopic Mass460.39165
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](C(C)(C)O)[C@]4([H])C[C@H](O)[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H52O3/c1-25(2)20-12-16-29(7)21(28(20,6)15-13-23(25)31)9-10-22-27(5)14-11-18(26(3,4)33)19(27)17-24(32)30(22,29)8/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20-,21+,22+,23-,24-,27-,28-,29+,30-/m0/s1
InChIKeyDKCBVIPOQXEXSD-NPOVCAEKSA-N
Species of MetaboliteComponentSourceComments
Hypocrella (ncbitaxon:42305) mycelium (BTO:0001436) PubMed (21995505) The fungus was isolated form scale insect Strain: BCC 14524
Roles Classification
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)
3β,15α,22-trihydroxyhopane (CHEBI:69635) has role fungal metabolite (CHEBI:76946)
3β,15α,22-trihydroxyhopane (CHEBI:69635) is a hopanoid (CHEBI:51963)
3β,15α,22-trihydroxyhopane (CHEBI:69635) is a pentacyclic triterpenoid (CHEBI:25872)
3β,15α,22-trihydroxyhopane (CHEBI:69635) is a triol (CHEBI:27136)
IUPAC Name 
(3β,15α)-hopane-3,15,22-triol
Registry NumbersSources
Reaxys:4532370Reaxys
Citations