Monofucosyllacto-N-hexaose (CHEBI:88463)

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CHEBI:88463 - Monofucosyllacto-N-hexaose

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ChEBI ID	CHEBI:88463
ChEBI Name	Monofucosyllacto-N-hexaose
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Downloads	Molfile

Formula	C46H78N2O35
Net Charge	0
Average Mass	1219.109
Monoisotopic Mass	1218.43851
SMILES	CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)C[C@H]1OO[C@H]1O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O
WURCS	WURCS=2.0/5,6,4/[a221c-1a_1-5d][a2112h-1b_1-5][a1221m-1a_1-5][a2x22h-1b_1-5_2NCC/3=O][o2122h]/1-2-3-4-2-5/a1n1-b1n2-c1n31OOC^RC^RC^RO3/6C^RO2/9C^RCO/12C$4/5NCC/17=O_a3-d1_a5-f4_d3-e1
InChI	InChI=1S/C46H78N2O35/c1-11-23(59)28(64)31(67)42(72-11)79-39-21(47-12(2)55)17(4-14(5-49)36(39)76-43-32(68)29(65)25(61)18(8-52)74-43)82-83-46-35(71)40(34(70)45(81-46)77-37(16(58)7-51)24(60)15(57)6-50)80-41-22(48-13(3)56)38(27(63)20(10-54)73-41)78-44-33(69)30(66)26(62)19(9-53)75-44/h6,11,14-46,49,51-54,57-71H,4-5,7-10H2,1-3H3,(H,47,55)(H,48,56)/t11-,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?,39+,40+,41-,42-,43-,44-,45+,46+/m0/s1
InChIKey	GKEWHGPIQCSUCC-JJGOEJEFSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	breast milk (ENVO:02000031)	PubMed (11787698)

ChEBI Ontology

Outgoing Relation(s)
	Monofucosyllacto-N-hexaose (CHEBI:88463) is a oligosaccharide (CHEBI:50699)

Synonyms	Source
O-6-Deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-delta-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->6)-O-[O-beta-delta-galactopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)]-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose	HMDB
N-[(2S,3R,5S,6R)-2-{[(2R,3R,4R,5R,6R)-2-{[(1R,2R,3R,4R,5R)-2-acetamido-5-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclohexyl]peroxy}-3,5-dihydroxy-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide	HMDB
O-6-Deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)-O-[O-beta-D-galactopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)]-O-beta-D-galactopyranosyl-(1->4)- D-Glucose	HMDB
Monofucosyllacto-N-hexaose III	HMDB

Manual Xrefs	Databases
HMDB0006612	HMDB

Registry Numbers	Sources
CAS:96656-34-7	KEGG COMPOUND

Citations