Ketcher 12151611322D 1   1.00000     0.00000     0

 16 17  0     0  0            999 V2000
   20.4802  -10.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6143  -10.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3464   -9.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3464  -10.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4802   -8.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6143   -9.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2974   -8.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2974  -10.4812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8851   -9.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7483   -8.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6063   -7.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9369   -7.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2459   -6.2181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5766   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5984   -5.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8856   -4.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  3  7  1  0     0  0
  4  1  1  0     0  0
  3  4  2  0     0  0
  4  8  1  0     0  0
  3  5  1  0     0  0
  5  6  2  0     0  0
  6  2  1  0     0  0
  6 10  1  0     0  0
  7  9  2  0     0  0
  7 11  1  0     0  0
  8  9  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 14 16  2  0     0  0
M  END
> <ID>
CHEBI:17697

> <NAME>
N-acetylserotonin

> <DEFINITION>
An N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40804; CHEBI:12582; CHEBI:21630; CHEBI:7223

> <SYNONYM>
N-acetylserotonin; N-Acetylserotonin; N-Acetyl-5-hydroxytryptamine; N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)acetamide

> <IUPAC_NAME>
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide

> <FORMULA>
C12H14N2O2

> <MASS>
218.252

> <MONOISOTOPIC_MASS>
218.10553

> <CHARGE>
0

> <SMILES>
C1=CC(=CC=2C(=CNC12)CCNC(C)=O)O

> <INCHI>
InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)

> <INCHIKEY>
MVAWJSIDNICKHF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1210-83-9

> <REAXYS_REGISTRY_NUMBER>
479159

> <CHEMIDPLUS>
1210-83-9

> <DRUGBANK_ACCESSION>
DB04275

> <KEGG_COMPOUND_ACCESSION>
C00978

> <LINCS_ACCESSION>
LSM-20977

> <METACYC_ACCESSION>
N-ACETYL-SEROTONIN

> <PDBECHEM_ACCESSION>
ASE

> <WIKIPEDIA_ACCESSION>
N-acetyl-serotonin

> <PUBMED_CITATION>
22585341; 22770225; 23994834; 24553937; 25386956; 25787187; 26079042; 26378484; 27562847

$$$$