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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:32:20 UTC
Update Date2023-02-21 17:19:11 UTC
HMDB IDHMDB0029739
Secondary Accession Numbers
  • HMDB29739
Metabolite Identification
Common NameIndole-3-acetamide
DescriptionIndole-3-acetamide, also known as 2-(3-indolyl)acetamide or IAM, belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Indole-3-acetamide has been detected, but not quantified, in several different foods, such as Alaska wild rhubarbs, lingonberries, butternut squash, pineapples, and agaves. Indole-3-acetamide is also found in the common pea and has been isolated from the etiolated seedlings of the black gram (Phaseolus mungo).
Structure
Thumb
Synonyms
ValueSource
1H-Indole-3-acetamideChEBI
3-IndoleacetamideChEBI
IndoleacetamideChEBI
Auxin amideMeSH
(indol-3-yl)AcetamideHMDB
1-Indole-3-acetamideHMDB
2-(1H-Indol-3-yl)acetamideHMDB
2-(3-Indolyl)acetamideHMDB
3-IndolylacetamideHMDB
IAMHMDB
Indole-3-acetamideHMDB, KEGG
Indole-3-acetamide (6ci,8ci)HMDB
Indole-3-acetamide (8ci)HMDB
TSCHMDB
TSRHMDB
Chemical FormulaC10H10N2O
Average Molecular Weight174.1992
Monoisotopic Molecular Weight174.079312952
IUPAC Name2-(1H-indol-3-yl)acetamide
Traditional Nameindole-3-acetamide
CAS Registry Number879-37-8
SMILES
NC(=O)CC1=CNC2=C1C=CC=C2
InChI Identifier
InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
InChI KeyZOAMBXDOGPRZLP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassIndoles
Direct Parent3-alkylindoles
Alternative Parents
Substituents
  • 3-alkylindole
  • Benzenoid
  • Substituted pyrrole
  • Heteroaromatic compound
  • Pyrrole
  • Azacycle
  • Carboximidic acid derivative
  • Carboximidic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point150 - 151 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility13440 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available136.0http://allccs.zhulab.cn/database/detail?ID=AllCCS00002125
[M+H]+Not Available137.4http://allccs.zhulab.cn/database/detail?ID=AllCCS00002125
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB08652
Phenol Explorer Compound IDNot Available
FooDB IDFDB000937
KNApSAcK IDC00000108
Chemspider ID386
KEGG Compound IDC02693
BioCyc IDCPD-237
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound397
PDB IDTSR
ChEBI ID16031
Food Biomarker OntologyNot Available
VMH IDIND3ACAM
MarkerDB IDNot Available
Good Scents IDrw1251491
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .