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CHEBI:9493 - tetrahymanol

ChEBI IDCHEBI:9493
ChEBI Nametetrahymanol
Stars
DefinitionA pentacyclic triterpenoid having a 3β- (21α-) hydroxy-substituted gammacerane structure.
Last Modified8 November 2016
DownloadsMolfile
FormulaC30H52O
Net Charge0
Average Mass428.745
Monoisotopic Mass428.40182
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]34C)[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C30H52O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1
InChIKeyBFNSRKHIVITRJP-VJBYBJRLSA-N
ChEBI Ontology
Outgoing Relation(s)
tetrahymanol (CHEBI:9493) has parent hydride gammacerane (CHEBI:36473)
tetrahymanol (CHEBI:9493) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming Relation(s)
2β-methyltetrahymanol (CHEBI:132463) has functional parent tetrahymanol (CHEBI:9493)
IUPAC Name 
gammaceran-21α-ol
Synonyms  Source
TetrahymanolKEGG COMPOUND
gammaceran-3β-olIUPAC
UniProt Name  Source
tetrahymanolUniProt
Manual XrefsDatabases
C06083KEGG COMPOUND
LMPR0106210001LIPID MAPS
Registry NumbersSources
CAS:2130-17-8ChemIDplus
CAS:2130-17-8KEGG COMPOUND