CHEBI:156968 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

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ChEBI Name (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
ChEBI ID CHEBI:156968
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C19H32N2O14
Net Charge 0
Average Mass 512.465
Monoisotopic Mass 512.18535
InChI InChI=1S/C19H32N2O14/c1-6(24)20-11-8(26)3-19(18(31)32,34-16(11)13(28)9(27)4-22)35-17-12(21-7(2)25)15(30)14(29)10(5-23)33-17/h8-17,22-23,26-30H,3-5H2,1-2H3,(H,20,24)(H,21,25)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17+,19-/m0/s1
InChIKey IXNCQSGFAVQEFD-IFFCIQPOSA-N
SMILES O1[C@H]([C@H](NC(=O)C)[C@@H](O)C[C@]1(O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO)C(O)=O)[C@H](O)[C@H](O)CO
ChEBI Ontology
Outgoing (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:156968) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonym Source
WURCS=2.0/2,2,1/[a2112h-1a_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a1-b2 SUBMITTER
Manual Xrefs Databases
G38361UZ GlyGen
G38361UZ GlyTouCan
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