CHEBI:196976 - atractyligenin 2-glucuronide

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ChEBI Name atractyligenin 2-glucuronide
ChEBI ID CHEBI:196976
Definition A diterpene glycoside that is atractyligenin having a single β-D-glucuronic acid residue attached at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C25H36O10
Net Charge 0
Average Mass 496.553
Monoisotopic Mass 496.23085
InChI InChI=1S/C25H36O10/c1-10-11-3-4-15-24(2)9-12(34-23-18(28)16(26)17(27)19(35-23)22(32)33)7-13(21(30)31)14(24)5-6-25(15,8-11)20(10)29/h11-20,23,26-29H,1,3-9H2,2H3,(H,30,31)(H,32,33)/t11-,12-,13-,14-,15+,16+,17+,18-,19+,20+,23-,24-,25-/m1/s1
InChIKey OYOQJMWAEWJXTA-WNFLXSAPSA-N
SMILES [H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)C[C@@H](C[C@H]2C(O)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(=C)[C@@H]4O
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): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing atractyligenin 2-glucuronide (CHEBI:196976) has functional parent β-D-glucuronic acid (CHEBI:28860)
atractyligenin 2-glucuronide (CHEBI:196976) has functional parent atractyligenin (CHEBI:196975)
atractyligenin 2-glucuronide (CHEBI:196976) has role human blood serum metabolite (CHEBI:85234)
atractyligenin 2-glucuronide (CHEBI:196976) is a β-D-glucosiduronic acid (CHEBI:15341)
atractyligenin 2-glucuronide (CHEBI:196976) is a ent-kaurane diterpenoid (CHEBI:36760)
atractyligenin 2-glucuronide (CHEBI:196976) is a dicarboxylic acid (CHEBI:35692)
atractyligenin 2-glucuronide (CHEBI:196976) is a diterpene glycoside (CHEBI:71939)
atractyligenin 2-glucuronide (CHEBI:196976) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
(2R,4R,4aR,6aR,7S,9R,11aS,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl β-D-glucopyranosiduronic acid
Synonyms Sources
atractyligenin 2-O-glucuronide ChEBI
atractyligenin glucuronide HMDB
Manual Xrefs Databases
FDB093670 FooDB
HMDB0240481 HMDB
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Citations Waiting for Citations Types Sources
24713823 PubMed citation Europe PMC
31218777 PubMed citation Europe PMC
33882831 PubMed citation Europe PMC
37396132 PubMed citation Europe PMC
Last Modified
06 September 2023