CHEBI:153632 - (2R,3R,4R)-2-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid

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ChEBI Name (2R,3R,4R)-2-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid
ChEBI ID CHEBI:153632
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C14H21NO18S2
Net Charge 0
Average Mass 555.430
Monoisotopic Mass 555.02001
InChI InChI=1S/C14H21NO18S2/c1-3(17)15-5-9(8(32-34(23,24)25)4(2-16)29-13(5)22)30-14-11(33-35(26,27)28)7(19)6(18)10(31-14)12(20)21/h4-5,7-9,11,13-14,16,18-19,22H,2H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,7+,8+,9-,11-,13?,14-/m1/s1
InChIKey RVAHDTDKGKDRJI-KGOWDALBSA-N
SMILES S(O[C@@H]1[C@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@@H](NC(=O)C)C(O[C@@H]1CO)O)(O)(=O)=O
ChEBI Ontology
Outgoing (2R,3R,4R)-2-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:153632) is a amino sugar (CHEBI:28963)
Synonym Source
WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a21EEA-1a_1-5_2*OSO/3=O/3=O]/1-2/a3-b1 SUBMITTER
Manual Xrefs Databases
G73979OI GlyGen
G73979OI GlyTouCan
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