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CHEBI:15711 - 1D-1-O-(indol-3-yl)acetyl-myo-inositol

ChEBI IDCHEBI:15711
ChEBI Name1D-1-O-(indol-3-yl)acetyl-myo-inositol
Stars
ASCII Name1D-1-O-(indol-3-yl)acetyl-myo-inositol
DefinitionA cyclitol ester that is 1D-myo-inositol bearing a indol-3-acetyl substituent at position 1.
Secondary ChEBI IDsCHEBI:5908, CHEBI:14450, CHEBI:19425
Last Modified3 August 2014
DownloadsMolfile
FormulaC16H19NO7
Net Charge0
Average Mass337.328
Monoisotopic Mass337.11615
SMILESO=C(Cc1cnc2ccccc12)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11-,12-,13+,14-,15-,16-/m1/s1
InChIKeyXUACNUJFOIKYPQ-BKQXGZDCSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1D-1-O-(indol-3-yl)acetyl-myo-inositol (CHEBI:15711) has functional parent myo-inositol (CHEBI:17268)
1D-1-O-(indol-3-yl)acetyl-myo-inositol (CHEBI:15711) is a cyclitol ester (CHEBI:64426)
1D-1-O-(indol-3-yl)acetyl-myo-inositol (CHEBI:15711) is a indoleacetic acid ester conjugate (CHEBI:64633)
1D-1-O-(indol-3-yl)acetyl-myo-inositol (CHEBI:15711) is a indoles (CHEBI:24828)
IUPAC Name 
1D-1-O-(indol-3-yl)acetyl-myo-inositol
Synonyms  Source
Indole-3-acetyl-myo-inositolKEGG COMPOUND
Indol-3-ylacetyl-myo-inositolKEGG COMPOUND
Indole-3-ylacetyl-myo-inositolKEGG COMPOUND
Indol-3-ylacetyl-1D-myo-inositolKEGG COMPOUND
UniProt Name  Source
indole-3-acetyl-1D-myo-inositolUniProt
Manual XrefsDatabases
C03868KEGG COMPOUND