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DTL : Summary
Code
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DTL
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One-letter code
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X
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Molecule name
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L-TREITOL
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Systematic names
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Formula
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C4 H10 O4
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Formal charge
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0
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Molecular weight
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122.12 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C(C(C(CO)O)O)O |
SMILES
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CACTVS |
3.385 |
OC[CH](O)[CH](O)CO |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C(C(C(CO)O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@H](O)[C@@H](O)CO |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C([C@@H]([C@H](CO)O)O)O |
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IUPAC InChI | InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1 |
IUPAC InChI key | UNXHWFMMPAWVPI-IMJSIDKUSA-N |
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wwPDB Information |
Atom count
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18 (8 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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2002-07-03
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Last modified at
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2015-06-01
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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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