CHEBI:182518 - [(2S,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate

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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,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate
ChEBI ID CHEBI:182518
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H27NO11
Net Charge 0
Average Mass 469.443
Monoisotopic Mass 469.15841
InChI InChI=1S/C21H27NO11/c23-11-7-31-21(18(30)13(11)25)33-20-16(28)14(26)19(15(27)17(20)29)32-12(24)5-8-6-22-10-4-2-1-3-9(8)10/h1-4,6,11,13-23,25-30H,5,7H2/t11-,13-,14-,15+,16-,17+,18+,19?,20?,21-/m0/s1
InChIKey RBVNENAKUTUHCM-KBGLIUAJSA-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]4OC[C@H](O)[C@H](O)[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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [(2S,3S,5R,6R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-cyclohexyl] 2-(1H-indol-3-yl)acetate (CHEBI:182518) is a indole-3-acetic acids (CHEBI:24803)
IUPAC Name
[(2S,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexyl] 2-(1H-indol-3-yl)acetate
Manual Xref Database
C04611 KEGG COMPOUND
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