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F4O : Summary
Code ![](/pdbe/static/images/help.png)
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F4O
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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6-methoxy-streptovaricin C
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Systematic names ![](/pdbe/static/images/help.png)
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Not Assigned
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Formula ![](/pdbe/static/images/help.png)
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C40 H53 N O14
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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771.847 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COC(=O)[CH]1[CH](O)[CH](C)[CH](O)[CH](C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c(O)c(C)c(OC)c3C(=O)C(=C[C](C)(O)[CH](O)[CH](C)[CH]1O)C)c2O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)C(=CC(C(C(C(C(C(C(C(C(C=CC=C(C(=O)N2)C)C)O)C)O)C(=O)OC)O)C)O)(C)O)C)O |
Canonical SMILES
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CACTVS |
3.385 |
COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(C)\C(=O)Nc2c(C)c(OC(C)=O)c3c(c(O)c(C)c(OC)c3C(=O)\C(=C\[C@@](C)(O)[C@@H](O)[C@@H](C)[C@H]1O)C)c2O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)/C(=C/[C@@](C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C\C=C(\C(=O)N2)/C)C)O)C)O)C(=O)OC)O)C)O)(C)O)/C)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C40H53NO14/c1-16-13-12-14-17(2)38(50)41-28-19(4)36(55-23(8)42)24-25(34(28)48)32(46)21(6)35(53-10)26(24)30(44)18(3)15-40(9,52)37(49)22(7)33(47)27(39(51)54-11)31(45)20(5)29(16)43/h12-16,20,22,27,29,31,33,37,43,45-49,52H,1-11H3,(H,41,50)/b13-12-,17-14+,18-15+/t16-,20-,22+,27-,29-,31-,33-,37+,40-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KVBRXYBSUWPYTK-JYNZOJPESA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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108 (55 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-03-24
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Last modified at ![](/pdbe/static/images/help.png)
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2020-08-07
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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