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RED : Summary
Code
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RED
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One-letter code
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X
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Molecule name
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DIHYDROLIPOIC ACID
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Systematic names
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Formula
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C8 H16 O2 S2
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Formal charge
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0
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Molecular weight
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208.341 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)CCCCC(S)CCS |
SMILES
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CACTVS |
3.341 |
OC(=O)CCCC[CH](S)CCS |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CCC(=O)O)CC(CCS)S |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)CCCC[C@@H](S)CCS |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CCC(=O)O)C[C@H](CCS)S |
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IUPAC InChI | InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1 |
IUPAC InChI key | IZFHEQBZOYJLPK-SSDOTTSWSA-N |
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wwPDB Information |
Atom count
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28 (12 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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2000-01-11
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Last modified at
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2011-06-04
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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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