CHEBI:89907 - disialyllacto-N-tetraose

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ChEBI Name disialyllacto-N-tetraose ChEBI ID CHEBI:89907 ChEBI ASCII Name disialyllacto-N-tetraose Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C48H79N3O37 Net Charge 0 Average Mass 1290.141 Monoisotopic Mass 1289.43924 InChI InChI=1S/C48H79N3O37/c1-12(57)49-23-15(60)4-47(45(74)75,86-37(23)26(64)17(62)6-52)78-11-22-30(68)36(25(51-14(3)59)42(82-22)85-39-28(66)19(8-54)80-43(33(39)71)83-35-21(10-56)79-41(73)32(70)31(35)69)84-44-34(72)40(29(67)20(9-55)81-44)88-48(46(76)77)5-16(61)24(50-13(2)58)38(87-48)27(65)18(63)7-53/h15-44,52-56,60-73H,4-11H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)(H,74,75)(H,76,77)/t15-,16-,17+,18+,19+,20+,21+,22+,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 FCIROHDMPFOSFG-LAVSNGQLSA-N SMILES O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO[C@]2(O[C@]([C@H](NC(=O)C)[C@@H](O)C2)([C@H](O)[C@H](O)CO)[H])C(O)=O)O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H](O)[C@@H](O)C(O[C@@H]4CO)O)[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@]6(O[C@]([C@H](NC(=O)C)[C@@H](O)C6)([C@H](O)[C@H](O)CO)[H])C(O)=O)[C@H]5O)CO Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in breast milk (ENVO:02000031). See: PubMed ChEBI Ontology Outgoing disialyllacto-N-tetraose (CHEBI:89907) is a oligosaccharide (CHEBI:50699) Synonyms Sources (2S,4S,5R,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-2-({[(2R,4S,5R,6R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}methyl)-6-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-3-hydroxyoxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid HMDB di-N-acetylneuraminosyllacto-N-tetraose HMDB WURCS=2.0/4,6,5/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4-4/a4-b1_b3-c1_c3-d1_c6-f2_d3-e2 GlyTouCan Manual Xrefs Databases G38710SX GlyTouCan G38710SX GlyGen HMDB0006594 HMDB View more database links Registry Number Type Source 61278-38-4 CAS Registry Number KEGG COMPOUND Citations Types Sources 1000529 PubMed citation Europe PMC 10683228 PubMed citation Europe PMC 3421714 PubMed citation Europe PMC 5363606 PubMed citation Europe PMC 809156 PubMed citation Europe PMC Last Modified 20 April 2021