MRU

5-S-METHYL-1-O-PHOSPHONO-5-THIO-D-RIBULOSE

Created:2007-04-18
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count27
Aromatic Bond Count0
2D diagram of MRU

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Chemical Component Summary

Name5-S-METHYL-1-O-PHOSPHONO-5-THIO-D-RIBULOSE
Systematic Name (OpenEye OEToolkits)[(3R,4S)-3,4-dihydroxy-5-methylsulfanyl-2-oxo-pentyl] dihydrogen phosphate
FormulaC6 H13 O7 P S
Molecular Weight260.202
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(C(O)C(O)CSC)COP(=O)(O)O
SMILESCACTVS3.341CSC[CH](O)[CH](O)C(=O)CO[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0CSCC(C(C(=O)COP(=O)(O)O)O)O
Canonical SMILESCACTVS3.341 CSC[C@@H](O)[C@@H](O)C(=O)CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O
InChIInChI1.03 InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1
InChIKeyInChI1.03 CNSJRYUMVMWNMC-RITPCOANSA-N

Related Resource References

Resource NameReference
PubChem 174549
ChEBI CHEBI:28096