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W72

Summary
Name:6-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-L-GULONIC ACID
Formula:C11 H21 N O9
Formal charge:0
Formula weight:311.286 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-deoxy-6-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-L-idonic acid
OpenEye OEToolkits1.5.0(2R,3S,4R,5S)-6-[(1S,2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2,3,4,5-tetrahydroxy-hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(O)C(O)C(O)C(O)CN1C(C(O)C(O)C1)CO
SMILES_CANONICALCACTVS3.341OC[C@@H]1[C@@H](O)[C@H](O)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
SMILESCACTVS3.341OC[CH]1[CH](O)[CH](O)CN1C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@H]([C@@H]([C@H]([N@@]1C[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)CO)O)O
SMILESOpenEye OEToolkits1.5.0C1C(C(C(N1CC(C(C(C(C(=O)O)O)O)O)O)CO)O)O
InChIInChI1.03InChI=1S/C11H21NO9/c13-3-4-7(16)5(14)1-12(4)2-6(15)8(17)9(18)10(19)11(20)21/h4-10,13-19H,1-3H2,(H,20,21)/t4-,5-,6+,7-,8-,9+,10-/m1/s1
InChIKeyInChI1.03ULVYPTHABPSARY-OMCDLXCCSA-N

221051

PDB entries from 2024-06-12

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