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IGP : Summary
Code
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IGP
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One-letter code
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X
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Molecule name
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INDOLE-3-GLYCEROL PHOSPHATE
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Systematic names
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Formula
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C11 H14 N O6 P
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Formal charge
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0
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Molecular weight
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287.206 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(O)OCC(O)C(O)c2c1ccccc1nc2 |
SMILES
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CACTVS |
3.341 |
O[CH](CO[P](O)(O)=O)[CH](O)c1c[nH]c2ccccc12 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)c(c[nH]2)C(C(COP(=O)(O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@H](CO[P](O)(O)=O)[C@@H](O)c1c[nH]c2ccccc12 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O |
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IUPAC InChI | InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1 |
IUPAC InChI key | NQEQTYPJSIEPHW-MNOVXSKESA-N |
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wwPDB Information |
Atom count
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33 (19 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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1999-07-08
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Last modified at
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2011-06-04
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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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