CHEBI:28071 - (indol-3-ylacetyl)-myo-inositol 3-L-arabinoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (indol-3-ylacetyl)-myo-inositol 3-L-arabinoside
ChEBI ID CHEBI:28071
ChEBI ASCII Name (indol-3-ylacetyl)-myo-inositol 3-L-arabinoside
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14441, CHEBI:24818, CHEBI:14442, CHEBI:19426, CHEBI:5911
Supplier Information
Download Molfile XML SDF
Formula C21H27NO11
Net Charge 0
Average Mass 469.43922
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-JLJUYRCPSA-N
SMILES O[C@H]1CO[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](OC(=O)Cc3c[nH]c4ccccc34)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing (indol-3-ylacetyl)-myo-inositol 3-L-arabinoside (CHEBI:28071) has functional parent myo-inositol (CHEBI:17268)
(indol-3-ylacetyl)-myo-inositol 3-L-arabinoside (CHEBI:28071) is a arabinoside (CHEBI:22601)
(indol-3-ylacetyl)-myo-inositol 3-L-arabinoside (CHEBI:28071) is a indolyl carbohydrate (CHEBI:24821)
(indol-3-ylacetyl)-myo-inositol 3-L-arabinoside (CHEBI:28071) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
(1S,2S,3R,4S,5S,6S)-4-(β-L-arabinopyranosyloxy)-2,3,5,6-tetrahydroxycyclohexyl 1H-indol-3-ylacetate
Synonyms Sources
(indol-3-yl)acetyl-myo-inositol 3-L-arabinoside UniProt
Indole-3-ylacetyl-myo-inositol L-arabinoside KEGG COMPOUND
Manual Xref Database
C04611 KEGG COMPOUND
View more database links
Last Modified
01 December 2014
General Comment
2007-09-20 Reaction product from EC 2.4.2.34. The position of acylation is indeterminate because of the ease of acyl transfer between hydroxy groups. The structure shown and named is that of only one of the possible isomers.