CHEBI:153190 - (2R,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid

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ChEBI Name (2R,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid
ChEBI ID CHEBI:153190
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
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Formula C25H41NO20
Net Charge 0
Average Mass 675.590
Monoisotopic Mass 675.22219
InChI InChI=1S/C25H41NO20/c1-7(28)26-13-9(30)3-25(24(39)40,46-21(13)14(32)10(31)5-41-8(2)29)42-6-12-15(33)16(34)19(37)23(44-12)45-20-11(4-27)43-22(38)18(36)17(20)35/h9-23,27,30-38H,3-6H2,1-2H3,(H,26,28)(H,39,40)/t9-,10+,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+,21+,22?,23-,25+/m0/s1
InChIKey LCCJNHMQINEXAO-PUZROJSUSA-N
SMILES O1[C@H]([C@H](NC(=O)C)[C@@H](O)C[C@]1(OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O)[C@H](O)[C@@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H](O)COC(=O)C
ChEBI Ontology
Outgoing (2R,4S,5R,6R)-5-Acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid (CHEBI:153190) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonym Source
WURCS=2.0/3,3,2/[a2122h-1x_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O_9*OCC/3=O]/1-2-3/a4-b1_b6-c2 GlyTouCan
Manual Xrefs Databases
G71635ZC GlyTouCan
G71635ZC GlyGen
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Last Modified
20 April 2021