CHEBI:153931 - (2S,4S,5R,6R)-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-Acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid

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ChEBI Name (2S,4S,5R,6R)-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-Acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid
ChEBI ID CHEBI:153931
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C48H79N3O38
Net Charge 0
Average Mass 1306.143
Monoisotopic Mass 1305.43416
InChI InChI=1S/C48H79N3O38/c1-12(59)49-23-14(61)3-47(45(75)76,87-37(23)26(65)16(63)5-52)86-19(8-55)29(68)38-24(51-22(64)11-58)15(62)4-48(88-38,46(77)78)89-40-28(67)18(7-54)81-44(34(40)73)83-35-21(10-57)82-42(25(30(35)69)50-13(2)60)85-39-27(66)17(6-53)80-43(33(39)72)84-36-20(9-56)79-41(74)32(71)31(36)70/h14-21,23-44,52-58,61-63,65-74H,3-11H2,1-2H3,(H,49,59)(H,50,60)(H,51,64)(H,75,76)(H,77,78)/t14-,15-,16+,17+,18+,19+,20+,21+,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41+,42-,43-,44-,47+,48-/m0/s1
InChIKey CVARGIYAKWHWAG-GWJHBEKRSA-N
SMILES O1[C@H]([C@H](NC(=O)CO)[C@@H](O)C[C@]1(O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@@H]4[C@@H](O)[C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]5CO)O)O[C@@H]([C@@H]2O)CO)C(O)=O)[C@H](O)[C@H](O[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)CO
ChEBI Ontology
Outgoing (2S,4S,5R,6R)-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-Acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid (CHEBI:153931) is a neuraminic acids (CHEBI:25508)
Synonyms Sources
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-8)NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)b-Glc SUBMITTER
WURCS=2.0/5,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCCO/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4-5/a4-b1_b3-c1_c4-d1_d3-e2_e8-f2 SUBMITTER
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G81009UW GlyTouCan
G81009UW GlyGen
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