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A1LXA

Summary
Name:L-2-keto-3-deoxyfuconate
Synonyms:(2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid
Formula:C6 H10 O5
Formal charge:0
Formula weight:162.141 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C6H10O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3-4,7,10H,2H2,1H3,(H,8,9)/t3-,4-,6-/m0/s1
InChIKeyInChI1.06YHDMJIUDFRWPAD-FKZODXBYSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1O[C@@](O)(C[C@@H]1O)C(O)=O
SMILESCACTVS3.385C[CH]1O[C](O)(C[CH]1O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]1[C@H](C[C@](O1)(C(=O)O)O)O
SMILESOpenEye OEToolkits2.0.7CC1C(CC(O1)(C(=O)O)O)O

223166

数据于2024-07-31公开中

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