Sialyllacto-N-tetraose a (CHEBI:89919)

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CHEBI:89919 - Sialyllacto-N-tetraose a

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ChEBI ID	CHEBI:89919
ChEBI Name	Sialyllacto-N-tetraose a
Stars
Downloads	Molfile

Formula	C37H62N2O29
Net Charge	0
Average Mass	998.888
Monoisotopic Mass	998.34382
SMILES	CC(=O)N[C@@H]1C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1OC1[C@@H](O)[C@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)O[C@H](CO)[C@@H]1O
WURCS	WURCS=2.0/4,5,4/[o2122h][a2112h-1b_1-5][a2122h-1b_1-5_2NCC/3=O][Aad21x22h-2a_2-6_5NCC/3=O]/1-2-3-2-4/a4-b1_b3-c1_c3-d1_d3-e2
InChI	InChI=1S/C37H62N2O29/c1-10(46)38-19-12(48)3-37(36(59)60,67-30(19)22(53)14(50)5-41)68-32-25(56)18(9-45)63-35(27(32)58)65-29-20(39-11(2)47)33(61-16(7-43)23(29)54)66-31-24(55)17(8-44)62-34(26(31)57)64-28(15(51)6-42)21(52)13(49)4-40/h4,12-35,41-45,48-58H,3,5-9H2,1-2H3,(H,38,46)(H,39,47)(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	QUOQJNYANJQSDA-MHQSSNGYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	breast milk (ENVO:02000031)	PubMed (10683228)

ChEBI Ontology

Outgoing Relation(s)
	Sialyllacto-N-tetraose a (CHEBI:89919) is a oligosaccharide (CHEBI:50699)

Synonyms	Source
LS-Tetrasaccharide a	HMDB
LSTa	HMDB
SLNT-a	HMDB
O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-O-beta-delta-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose	HMDB
O-(N-Acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Glucose	HMDB
(2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,5S,6R)-2-{[(2R,3S,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}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-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

Manual Xrefs	Databases
HMDB0006589	HMDB

Registry Numbers	Sources
CAS:64003-53-8	KEGG COMPOUND

Citations