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B3P : Summary
Code ![](/pdbe/static/images/help.png)
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B3P
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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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2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
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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 H26 N2 O6
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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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282.334 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 |
OCC(NCCCNC(CO)(CO)CO)(CO)CO |
SMILES
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CACTVS |
3.341 |
OCC(CO)(CO)NCCCNC(CO)(CO)CO |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CNC(CO)(CO)CO)CNC(CO)(CO)CO |
Canonical SMILES
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CACTVS |
3.341 |
OCC(CO)(CO)NCCCNC(CO)(CO)CO |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CNC(CO)(CO)CO)CNC(CO)(CO)CO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HHKZCCWKTZRCCL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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45 (19 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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1999-10-15
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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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