CHEBI:154548 - (2R,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

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ChEBI Name (2R,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
ChEBI ID CHEBI:154548
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(41)34-13(5-37)27(22(48)16(46)9-55-33(32(53)54)4-14(44)19(35-11(2)42)29(60-33)21(47)15(45)6-38)58-30-20(36-12(3)43)28(24(50)18(8-40)56-30)59-31-26(52)25(51)23(49)17(7-39)57-31/h13-31,37-40,44-52H,4-9H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)(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 FRLRHHCTWSXFQZ-AJDIOHCKSA-N
SMILES O1[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@]2(O[C@H]([C@H](NC(=O)C)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](NC(=O)C)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]1CO
ChEBI Ontology
Outgoing (2R,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:154548) is a neuraminic acids (CHEBI:25508)
Synonym Source
WURCS=2.0/4,4,3/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_a6-d2_b3-c1 SUBMITTER
Manual Xrefs Databases
G83155KW GlyTouCan
G83155KW GlyGen
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