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CHEBI:89917 - Lactodifucotetraose

ChEBI IDCHEBI:89917
ChEBI NameLactodifucotetraose
Stars
DownloadsMolfile
FormulaC24H42O19
Net Charge0
Average Mass634.581
Monoisotopic Mass634.23203
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H](C=O)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H](O)CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[o2122h][a2112h-1a_1-5][a1221m-1a_1-5]/1-2-3-3/a2-b1_a3-d1_b2-c1
InChIInChI=1S/C24H42O19/c1-6-11(29)15(33)18(36)22(38-6)42-20(13(31)8(28)3-25)10(5-27)41-24-21(17(35)14(32)9(4-26)40-24)43-23-19(37)16(34)12(30)7(2)39-23/h5-26,28-37H,3-4H2,1-2H3/t6-,7-,8+,9+,10-,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22-,23-,24+/m0/s1
InChIKeyBRHHWBDLMUBZQQ-JZEMXWCPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) breast milk (ENVO:02000031) PubMed (11787698)
ChEBI Ontology
Outgoing Relation(s)
Lactodifucotetraose (CHEBI:89917) is a tetrasaccharide (CHEBI:50126)
Synonyms  Source
(2R,3S,4R,5R)-2-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5,6-trihydroxy-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexanalHMDB
O-6-Deoxy-alpha-L-galactopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-Glucopyranose (8Cl)HMDB
O-6-Deoxy-alpha-L-galactopyranosyl-(1->2)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-delta-Glucopyranose (8Cl)HMDB
O-alpha-L-Fucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->4)-O-[alpha-L-fucopyranosyl-(1->3)]-Glucopyranose (7CI)HMDB
O-alpha-L-Fucopyranosyl-(1->2)-O-beta-delta-galactopyranosyl-(1->4)-O-[alpha-L-fucopyranosyl-(1->3)]-Glucopyranose (7CI)HMDB
Manual XrefsDatabases
HMDB0006587HMDB
Registry NumbersSources
CAS:20768-11-0KEGG COMPOUND
Citations