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STR : Summary
Code
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STR
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One-letter code
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X
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Molecule name
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PROGESTERONE
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Systematic names
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Formula
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C21 H30 O2
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Formal charge
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0
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Molecular weight
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314.462 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C4C=C2C(C1CCC3(C(C(=O)C)CCC3C1CC2)C)(C)CC4 |
SMILES
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CACTVS |
3.341 |
CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
Canonical SMILES
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CACTVS |
3.341 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C |
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IUPAC InChI | InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 |
IUPAC InChI key | RJKFOVLPORLFTN-LEKSSAKUSA-N |
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wwPDB Information |
Atom count
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53 (23 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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