CHEBI:89905 - Sialyllacto-N-neotetraose c

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ChEBI Name Sialyllacto-N-neotetraose c
ChEBI ID CHEBI:89905
Stars This entity has been manually annotated by a third party.
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Formula C37H62N2O29
Net Charge 0
Average Mass 998.886
Monoisotopic Mass 998.34382
InChI InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-23(53)26(56)27(57)34(64-18)66-30-17(8-44)63-33(20(25(30)55)39-11(2)46)67-32-24(54)16(7-43)62-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)/t12-,13-,14+,15+,16+,17+,18?,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,37+/m0/s1
InChIKey SXMGGNXBTZBGLU-IBUUTZGMSA-N
SMILES [C@H]1(O[C@@](C[C@@H]([C@H]1NC(=O)C)O)(OCC2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]([C@H](O)CO)[C@@H]([C@@H](O)C=O)O)O)CO)O)O)O)C(=O)O)[C@@H]([C@@H](CO)O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in breast milk (ENVO:02000031). See: PubMed
ChEBI Ontology
Outgoing Sialyllacto-N-neotetraose c (CHEBI:89905) is a oligosaccharide (CHEBI:50699)
Synonyms Sources
(2R,4S,5R,6R)-2-{[(3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid HMDB
LS-tetrasaccharide c HMDB
LSTc HMDB
O-(N-Acetyl-alpha-neuraminosyl)-(2->6)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-D-Glucose HMDB
O-(N-Acetyl-alpha-neuraminosyl)-(2->6)-O-beta-delta-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-delta-Glucose HMDB
SLNT-c HMDB
Manual Xref Database
HMDB0006593 HMDB
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Registry Number Type Source
64003-55-0 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
10683228 PubMed citation Europe PMC
11471815 PubMed citation Europe PMC