CHEBI:89338 - Lacto-N-difucopentaose II

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ChEBI Name Lacto-N-difucopentaose II
ChEBI ID CHEBI:89338
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H65NO29
Net Charge 0
Average Mass 999.914
Monoisotopic Mass 999.36423
InChI InChI=1S/C38H65NO29/c1-9-18(48)22(52)25(55)35(59-9)64-29(12(46)4-40)30(13(47)5-41)65-38-28(58)33(21(51)15(7-43)62-38)68-34-17(39-11(3)45)32(67-37-27(57)24(54)20(50)14(6-42)61-37)31(16(8-44)63-34)66-36-26(56)23(53)19(49)10(2)60-36/h4,9-10,12-38,41-44,46-58H,5-8H2,1-3H3,(H,39,45)/t9-,10-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey QNSWVQWPVUZACH-ZQTNVGDNSA-N
SMILES [C@H]1([C@@H]([C@@H](O[C@]([C@H]1O)(O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@]3([C@H]([C@H](O[C@H]([C@@H]3O)O[C@@]([C@](O[C@@H]4O[C@H]([C@H]([C@H]([C@@H]4O)O)O)C)([C@H](O)C=O)[H])([C@H](O)CO)[H])CO)O)[H])NC(=O)C)O[C@@]5(O[C@@H]([C@@H]([C@@H]([C@H]5O)O)O)CO)[H])[H])C)O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in breast milk (ENVO:02000031). See: PubMed
ChEBI Ontology
Outgoing Lacto-N-difucopentaose II (CHEBI:89338) is a oligosaccharide (CHEBI:50699)
Synonyms Sources
Lacto-N-difucohexaose II HMDB
LNDFH II HMDB
N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5S)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]acetamide HMDB
O-6-Deoxy-a-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1->4)-O-[b-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-b-D-galactopyranosyl-(1->4)]- D-Glucose HMDB
O-6-Deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[b-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]- D-Glucose HMDB
O-6-Deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[b-delta-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-beta-delta-galactopyranosyl-(1->4)]- D-Glucose HMDB
O-a-L-Fucopyranosyl-(1->4)-O-[b-D-galactopyranosyl-(1->3)]-O-2-acetamido-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-O-[a-L-fucopyranosyl-(1->3)]- D-Glucose HMDB
O-alpha-L-Fucopyranosyl-(1->4)-O-[b-D-galactopyranosyl-(1->3)]-O-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-[a-L-fucopyranosyl-(1->3)]- D-Glucose HMDB
O-alpha-L-Fucopyranosyl-(1->4)-O-[b-delta-galactopyranosyl-(1->3)]-O-2-acetamido-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-O-[a-L-fucopyranosyl-(1->3)]- D-Glucose HMDB
Manual Xref Database
HMDB0001986 HMDB
View more database links
Registry Number Type Source
62258-12-2 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
10837303 PubMed citation Europe PMC
11787695 PubMed citation Europe PMC
11787698 PubMed citation Europe PMC
14530096 PubMed citation Europe PMC
17002410 PubMed citation Europe PMC
3274083 PubMed citation Europe PMC