CHEBI:69217 - fatsicarpain B

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ChEBI Name fatsicarpain B
ChEBI ID CHEBI:69217
Definition A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by a sulfoxy group at position 3 and a carboxy group at position 28. It has been isolated from the leaves and twigs of Fatsia polycarpa.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H46O6S
Net Charge 0
Average Mass 534.74800
Monoisotopic Mass 534.30151
InChI InChI=1S/C30H46O6S/c1-25(2)14-16-30(24(31)32)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(36-37(33,34)35)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23H,10-18H2,1-7H3,(H,31,32)(H,33,34,35)/t21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey NXFKKVRHIZTYMJ-HLYSYWIOSA-N
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)CC[C@H](OS(O)(=O)=O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O
Metabolite of Species Details
Fatsia polycarpa (NCBI:txid230586) Found in twig (BTO:0001411). Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs See: PubMed
Fatsia polycarpa (NCBI:txid230586) Found in leaf (BTO:0000713). Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing fatsicarpain B (CHEBI:69217) has parent hydride oleanane (CHEBI:36481)
fatsicarpain B (CHEBI:69217) has role plant metabolite (CHEBI:76924)
fatsicarpain B (CHEBI:69217) is a monocarboxylic acid (CHEBI:25384)
fatsicarpain B (CHEBI:69217) is a pentacyclic triterpenoid (CHEBI:25872)
fatsicarpain B (CHEBI:69217) is a sulfuric ester (CHEBI:26819)
IUPAC Name
rel-(3S)-3-(sulfooxy)oleana-11,13(18)-dien-28-oic acid
Registry Number Type Source
21876590 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21766884 PubMed citation Europe PMC
Last Modified
09 January 2014