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MYI : Summary
Code
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MYI
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One-letter code
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X
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Molecule name
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(5-methoxy-1H-indol-3-yl)acetic acid
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Synonyms
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5-methoxy-indole acetate
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Systematic names
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Formula
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C11 H11 N O3
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Formal charge
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0
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Molecular weight
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205.21 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.352 |
COc1ccc2[nH]cc(CC(O)=O)c2c1 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
COc1ccc2c(c1)c(c[nH]2)CC(=O)O |
Canonical SMILES
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CACTVS |
3.352 |
COc1ccc2[nH]cc(CC(O)=O)c2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
COc1ccc2c(c1)c(c[nH]2)CC(=O)O |
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IUPAC InChI | InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) |
IUPAC InChI key | COCNDHOPIHDTHK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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26 (15 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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2010-02-08
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Last modified at
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2020-06-17
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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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