CHEBI:148848 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
ChEBI ID CHEBI:148848
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C33H57N3O24
Net Charge 0
Average Mass 879.816
Monoisotopic Mass 879.33320
InChI InChI=1S/C33H57N3O24/c1-10(42)34-13(5-37)26(21(48)15(46)6-38)57-31-25(52)29(27(18(9-41)56-31)58-30-20(36-12(3)44)24(51)23(50)17(8-40)55-30)60-33(32(53)54)4-14(45)19(35-11(2)43)28(59-33)22(49)16(47)7-39/h13-31,37-41,45-52H,4-9H2,1-3H3,(H,34,42)(H,35,43)(H,36,44)(H,53,54)/t13-,14-,15+,16+,17+,18+,19+,20+,21-,22+,23+,24+,25+,26+,27-,28+,29+,30+,31-,33-/m0/s1
InChIKey YYMONVVGQUJSIH-LFRQXRJVSA-N
SMILES O([C@H]1[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H](O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@@H]1O)CO)[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O
ChEBI Ontology
Outgoing (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:148848) is a neuraminic acids (CHEBI:25508)
Synonym Source
WURCS=2.0/4,4,3/[h2112h_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-4/a3-b1_b3-c2_b4-d1 SUBMITTER
Manual Xrefs Databases
G29971IY GlyTouCan
G29971IY GlyGen
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