CHEBI:182762 - [(2S,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [(2S,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate
ChEBI ID CHEBI:182762
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H29NO12
Net Charge 0
Average Mass 499.469
Monoisotopic Mass 499.16898
InChI InChI=1S/C22H29NO12/c24-7-11-13(26)14(27)19(32)22(33-11)35-21-17(30)15(28)20(16(29)18(21)31)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2/t11-,13+,14+,15-,16+,17-,18+,19-,20?,21?,22+/m1/s1
InChIKey ZBIDXXVRKIWIKP-BLWHGSIISA-N
SMILES O(C1[C@H](O)[C@@H](O)C(OC(=O)CC=2C=3C(NC2)=CC=CC3)[C@@H](O)[C@@H]1O)[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [(2S,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate (CHEBI:182762) is a indole-3-acetic acids (CHEBI:24803)
IUPAC Name
[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 2-(1H-indol-3-yl)acetate
Manual Xref Database
C04695 KEGG COMPOUND
View more database links