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MYL : Summary
Code ![](/pdbe/static/images/help.png)
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MYL
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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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Mycalamide A
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C24 H41 N O10
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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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503.583 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
11.02 |
O=C(NC2OCOC1C(OC)C(C(OC12)CC(O)CO)(C)C)C(O)C3(OC)OC(C)C(C(=C)/C3)C |
SMILES
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CACTVS |
3.352 |
CO[CH]1[CH]2OCO[CH](NC(=O)[CH](O)[C]3(CC(=C)[CH](C)[CH](C)O3)OC)[CH]2O[CH](C[CH](O)CO)C1(C)C |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(CO)O)(C)C)OC)OCO2)O)OC)C |
Canonical SMILES
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CACTVS |
3.352 |
CO[C@@H]1[C@H]2OCO[C@@H](NC(=O)[C@@H](O)[C@]3(CC(=C)[C@@H](C)[C@@H](C)O3)OC)[C@H]2O[C@H](C[C@H](O)CO)C1(C)C |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2)O)OC)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C24H41NO10/c1-12-9-24(31-7,35-14(3)13(12)2)19(28)21(29)25-22-18-17(32-11-33-22)20(30-6)23(4,5)16(34-18)8-15(27)10-26/h13-20,22,26-28H,1,8-11H2,2-7H3,(H,25,29)/t13-,14-,15+,16-,17+,18+,19-,20-,22-,24-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IJASURGZDJYQGF-RXLGVIKCSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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76 (35 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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HETAD
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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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2009-08-21
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-13
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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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