CHEBI:154788 - (2S,4S,5R,6R)-5-Acetamido-2-[(3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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 (2S,4S,5R,6R)-5-Acetamido-2-[(3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
ChEBI ID CHEBI:154788
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(32)26-10(4-28)20(16(37)12(35)5-29)44-23-19(40)22(18(39)14(7-31)43-23)46-25(24(41)42)3-11(34)15(27-9(2)33)21(45-25)17(38)13(36)6-30/h10-23,28-31,34-40H,3-7H2,1-2H3,(H,26,32)(H,27,33)(H,41,42)/t10-,11-,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22-,23?,25-/m0/s1
InChIKey YONWXRTUTCEEMI-YVQIPSIYSA-N
SMILES O1[C@](O[C@H]2[C@@H](O)[C@H](OC(O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@@H]2O)CO)(C[C@H](O)[C@@H](NC(=O)C)[C@@H]1[C@H](O)[C@H](O)CO)C(O)=O
ChEBI Ontology
Outgoing (2S,4S,5R,6R)-5-Acetamido-2-[(3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:154788) is a neuraminic acids (CHEBI:25508)
Synonym Source
WURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2112h-1x_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a3-b1_b3-c2 SUBMITTER
Manual Xrefs Databases
G87124AC GlyTouCan
G87124AC GlyGen
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