ChEBI


 15 16  0  0  0  0  0  0  0  0  2 V2000
    6.2609   -4.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4138   -5.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5668   -4.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609   -3.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1080   -5.2305    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.1257   -6.8334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8322   -6.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   -5.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9008   -4.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7197   -5.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1223   -5.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3507   -3.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6161   -3.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5441   -4.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4138   -6.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  4  1  2  0  0  0  0
  3  2  1  0  0  0  0
 15  2  2  0  0  0  0
 10  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
 10  7  2  0  0  0  0
  9  8  2  0  0  0  0
 11  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12  9  1  0  0  0  0
 14 11  2  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
M  CHG  1   5  -1
M  END
> <ID>
CHEBI:17640

> <NAME>
3-(indol-3-yl)pyruvate

> <DEFINITION>
A indol-3-yl carboxylic acid anion that is the conjugate base of 3-(indol-3-yl)pyruvic acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11738; CHEBI:11113; CHEBI:14454; CHEBI:24816; CHEBI:29095

> <SYNONYM>
indole-3-pyruvate; indole-3-pyruvate

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

> <FORMULA>
C11H8NO3

> <MASS>
202.18616

> <MONOISOTOPIC_MASS>
202.05097

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)/p-1

> <INCHIKEY>
RSTKLPZEZYGQPY-UHFFFAOYSA-M

> <REAXYS_REGISTRY_NUMBER>
4455545

$$$$