CHEBI:153029 - (2R,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name (2R,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
ChEBI ID CHEBI:153029
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C25H44N2O19
Net Charge 0
Average Mass 676.622
Monoisotopic Mass 676.25383
InChI InChI=1S/C25H44N2O19/c1-8(31)26-10(4-28)21(45-23-20(40)19(39)18(38)14(6-30)44-23)17(37)13(35)7-43-25(24(41)42)3-11(33)15(27-9(2)32)22(46-25)16(36)12(34)5-29/h10-23,28-30,33-40H,3-7H2,1-2H3,(H,26,31)(H,27,32)(H,41,42)/t10-,11-,12+,13+,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,25+/m0/s1
InChIKey VREVQUUWHCJMFO-PJRPEFJWSA-N
SMILES O1[C@H]([C@H](NC(=O)C)[C@@H](O)C[C@]1(OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@@H](NC(=O)C)CO)C(O)=O)[C@H](O)[C@H](O)CO
ChEBI Ontology
Outgoing (2R,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:153029) is a neuraminic acids (CHEBI:25508)
Synonym Source
WURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a3-b1_a6-c2 SUBMITTER
Manual Xrefs Databases
G65285QO GlyGen
G65285QO GlyTouCan
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