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CHEBI:69220 - fatsicarpain E

ChEBI IDCHEBI:69220
ChEBI Namefatsicarpain E
Stars
DefinitionA pentacyclic triterpenoid that is olean-18-ene substituted by α-hydroxy groups at positions 3 and 11 respectively and a carboxy group at position 28. It has been isolated from the leaves and twigs of Fatsia polycarpa.
Last Modified9 January 2014
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@]12[C@H](O)C[C@]3([H])C4=CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)17-25)16-20(31)23-27(5)10-9-22(32)26(3,4)21(27)8-11-29(23,28)7/h17-18,20-23,31-32H,8-16H2,1-7H3,(H,33,34)/t18-,20-,21+,22-,23-,27+,28-,29-,30+/m1/s1
InChIKeyTZKAUVVTNXKRNY-GKNIEUGRSA-N
Species of MetaboliteComponentSourceComments
Fatsia polycarpa (ncbitaxon:230586)
leaf (BTO:0000713) PubMed (21766884) Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs
twig (BTO:0001411) PubMed (21766884) Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
fatsicarpain E (CHEBI:69220) has parent hydride oleanane (CHEBI:36481)
fatsicarpain E (CHEBI:69220) has role plant metabolite (CHEBI:76924)
fatsicarpain E (CHEBI:69220) is a hydroxy monocarboxylic acid (CHEBI:35868)
fatsicarpain E (CHEBI:69220) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
rel-(3R,11R)-3,11-dihydroxyolean-18-en-28-oic acid
Registry NumbersSources
Reaxys:21876588Reaxys
Citations