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DBQ : Summary
Code ![](/pdbe/static/images/help.png)
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DBQ
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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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DEBROMOHYMENIALDISINE
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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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C11 H11 N5 O2
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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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245.237 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 |
10.04 |
O=C1C(\N=C(N)N1)=C3\c2ccnc2C(=O)NCC3 |
SMILES
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CACTVS |
3.341 |
NC1=NC(C(=O)N1)=C2CCNC(=O)c3[nH]ccc23 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1c[nH]c2c1C(=C3C(=O)NC(=N3)N)CCNC2=O |
Canonical SMILES
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CACTVS |
3.341 |
NC1=N/C(C(=O)N1)=C2/CCNC(=O)c3[nH]ccc23 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1c[nH]c2c1/C(=C\3/C(=O)NC(=N3)N)/CCNC2=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6- |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JYRJOQGKGMHTOO-VURMDHGXSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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29 (18 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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2004-08-04
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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