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CHEBI:67963 - rel-hopan-27-al-6β,11α,22-triol

ChEBI IDCHEBI:67963
ChEBI Namerel-hopan-27-al-6β,11α,22-triol
Stars
ASCII Namerel-hopan-27-al-6beta,11alpha,22-triol
DefinitionA hopanoid that is hopan-27-al substituted by hydroxy groups at positions 6, 11 and 22 (the 6β,11α-stereoisomer). It has been isolated from Conoideocrella tenuis.
Last Modified27 May 2015
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILES[H][C@]12C[C@@H](O)[C@@]3([H])[C@@](C)(C[C@@H](O)[C@@]4([H])C(C)(C)CCC[C@]34C)[C@]1(C=O)CC[C@@]1([H])[C@@H](C(C)(C)O)CC[C@]21C
InChIInChI=1S/C30H50O4/c1-25(2)11-8-12-28(6)23(25)21(33)16-29(7)24(28)20(32)15-22-27(5)13-9-18(26(3,4)34)19(27)10-14-30(22,29)17-31/h17-24,32-34H,8-16H2,1-7H3/t18-,19-,20+,21+,22+,23-,24+,27-,28-,29+,30-/m0/s1
InChIKeyHNKBWPYYJWLMQY-ZEZQLZSKSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella tenuis (ncbitaxon:1105321) mycelium (BTO:0001436) PubMed (21473608) Filtrate of mycelia macerated with methanol Strain: BCC 18627
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)
rel-hopan-27-al-6β,11α,22-triol (CHEBI:67963) has role fungal metabolite (CHEBI:76946)
rel-hopan-27-al-6β,11α,22-triol (CHEBI:67963) is a aldehyde (CHEBI:17478)
rel-hopan-27-al-6β,11α,22-triol (CHEBI:67963) is a hopanoid (CHEBI:51963)
rel-hopan-27-al-6β,11α,22-triol (CHEBI:67963) is a pentacyclic triterpenoid (CHEBI:25872)
rel-hopan-27-al-6β,11α,22-triol (CHEBI:67963) is a triol (CHEBI:27136)
IUPAC Name 
(6β,11α)-6,11,22-trihydroxyhopan-27-al
Registry NumbersSources
Reaxys:21448552Reaxys
Citations