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DOR : Summary
Code
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DOR
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One-letter code
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X
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Molecule name
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(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
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Synonyms
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DIHYDROOROTIC ACID
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Systematic names
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Formula
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C5 H6 N2 O4
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Formal charge
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0
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Molecular weight
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158.112 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C1NC(=O)NC(=O)C1 |
SMILES
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CACTVS |
3.341 |
OC(=O)[CH]1CC(=O)NC(=O)N1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C(NC(=O)NC1=O)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)[C@@H]1CC(=O)NC(=O)N1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1[C@H](NC(=O)NC1=O)C(=O)O |
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IUPAC InChI | InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1 |
IUPAC InChI key | UFIVEPVSAGBUSI-REOHCLBHSA-N |
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wwPDB Information |
Atom count
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17 (11 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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2005-02-01
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Last modified at
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2021-03-01
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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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