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PRD_900033

Summary
Name:METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE
Formula:C13 H24 O10 S
Fomular weight:372.389
Component type:saccharide
Polymer sequences:Z5L, MAN
Non-polymer components:
BIRD class:Substrate analog
Represented as:branched
Description:oligosaccharide with S-glycosidic bond between monosaccharides

ProgramVersionName
ACDLabs10.04methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside
OpenEye OEToolkits1.5.0(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]sulfanyl-6-(hydroxymethyl)oxan e-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
SMILES_CANONICALCACTVS3.341CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O
SMILESCACTVS3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
SMILES_CANONICALOpenEye OEToolkits1.5.0CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0COC1C(C(C(C(O1)CO)O)O)SC2C(C(C(C(O2)CO)O)O)O
InChIInChI1.03InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7- ,8+,9+,10+,11+,12+,13-/m1/s1
InChIKeyInChI1.03WAYOKHSZGNFKSX-ZEEOCKJESA-N

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건을2024-11-06부터공개중

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