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SRO : Summary
Code
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SRO
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One-letter code
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X
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Molecule name
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SEROTONIN
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Synonyms
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3-(2-AMINOETHYL)-1H-INDOL-5-OL
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Systematic names
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Formula
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C10 H12 N2 O
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Formal charge
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0
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Molecular weight
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176.215 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Oc1cc2c(cc1)ncc2CCN |
SMILES
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CACTVS |
3.341 |
NCCc1c[nH]c2ccc(O)cc12 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2c(cc1O)c(c[nH]2)CCN |
Canonical SMILES
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CACTVS |
3.341 |
NCCc1c[nH]c2ccc(O)cc12 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2c(cc1O)c(c[nH]2)CCN |
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IUPAC InChI | 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 |
IUPAC InChI key | QZAYGJVTTNCVMB-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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25 (13 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2007-07-11
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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