ChEBI


 13 14  0  0  0  0  0  0  0  0  1 V2000
   22.2131  -17.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2131  -15.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6865  -18.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1599  -17.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6865  -14.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1599  -15.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7780  -18.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.7780  -15.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7780  -16.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3038  -13.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9679  -13.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4937  -11.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1063  -14.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <ID>
CHEBI:16031

> <NAME>
indole-3-acetamide

> <DEFINITION>
A member of the class of indoles that is  acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic acid (IAA).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46118; CHEBI:5904; CHEBI:14446; CHEBI:24800

> <SYNONYM>
indoleacetamide; Indole-3-acetamide; indole-3-acetamide; Indole-3-acetamide; 3-indoleacetamide; 1H-indole-3-acetamide

> <IUPAC_NAME>
2-(1H-indol-3-yl)acetamide

> <FORMULA>
C10H10N2O

> <MASS>
174.19928

> <MONOISOTOPIC_MASS>
174.07931

> <CHARGE>
0

> <SMILES>
NC(=O)Cc1c[nH]c2ccccc12

> <INCHI>
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)

> <INCHIKEY>
ZOAMBXDOGPRZLP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
143368

> <CAS_REGISTRY_NUMBER>
879-37-8

> <REAXYS_REGISTRY_NUMBER>
143368

> <CHEMIDPLUS>
879-37-8

> <KEGG_COMPOUND_ACCESSION>
C02693

> <KNAPSACK_ACCESSION>
C00000108

> <METACYC_ACCESSION>
CPD-237

> <NIST_CHEMISTRY_WEBBOOK>
879-37-8

> <PDBECHEM_ACCESSION>
TSR

> <PUBMED_CITATION>
22079545; 22210218; 22447967; 23306880; 23521653; 24350783

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