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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Serotonin
Serotonin synonyms
Serotonin; Thrombocytin; 3-(2-Aminoethyl)-1H-indol-5-ol; 5-HT; Ds substance; Antemovis; 5-Hta; 5-Hydroxy-3-(beta-aminoethyl)indole; Antemoqua; Indol-5-ol, 3-(2-aminoethyl)-; 3-(2-Aminoethyl)indol-5-ol
Molecular Formula: C10 H12 N2 O
Natural Isotopic Abundance Mass: 176.21508
Mono-Isotopic Molecular Masses:
- C12N14: 176.0949630177
- C13N14: 186.1285113957
- C12N15: 178.0890328041
- C13N15: 188.1225811821
InChI String: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
canonical and isomeric SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
3-(2-aminoethyl)-1H-indol-5-ol
PUBCHEM iupac SYSTEMATIC NAME
3-(2-azanylethyl)-1H-indol-5-ol
PubChem Compound (CID): 5202
KEGG: Compound ID C00780
CAS Registry IDs: 50-67-9
PDB Chemical Component SRO
Miscellaneous Databases and IDs: CAS 50-67-9 MMCD cq_00526 ChemIDplus 000050679 EINECS 200-058-9 NIAID 166243 Beilstein Handbook Reference 5-22-12-00016 NCGC NCGC00142449-02 NIST 470768363
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773