CHEBI:195319 - Fucosyldisialyllacto-N-hexaose I

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fucosyldisialyllacto-N-hexaose I
ChEBI ID CHEBI:195319
Definition Human Milk Oligosaccharide (HMO)
Stars This entity has been manually annotated by a third party.
Submitter R. Stephan
Supplier Information
Download Molfile XML SDF
Formula C68H112N4O51
Net Charge 0
Average Mass 1801.621
Monoisotopic Mass 1800.62935
InChI InChI=1S/C68H112N4O51/c1-16-35(87)43(95)47(99)61(109-16)120-57-44(96)38(90)25(10-75)112-64(57)117-50-28(13-78)113-59(33(42(50)94)71-19(4)81)107-14-29-41(93)55(48(100)62(115-29)116-51-27(12-77)110-58(102)46(98)45(51)97)119-60-34(72-20(5)82)52(40(92)30(114-60)15-108-67(65(103)104)6-21(83)31(69-17(2)79)53(121-67)36(88)23(85)8-73)118-63-49(101)56(39(91)26(11-76)111-63)123-68(66(105)106)7-22(84)32(70-18(3)80)54(122-68)37(89)24(86)9-74/h16,21-64,73-78,83-102H,6-15H2,1-5H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)(H,103,104)(H,105,106)/t16-,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+,47-,48+,49+,50+,51+,52+,53+,54+,55-,56-,57+,58?,59+,60-,61-,62-,63-,64-,67+,68-/m0/s1
InChIKey PPVSTAHXKVKSNH-RUMXEMEOSA-N
SMILES C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)O)CO)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)CO)O)O)O
ChEBI Ontology
Outgoing Fucosyldisialyllacto-N-hexaose I (CHEBI:195319) is a organic molecular entity (CHEBI:50860)
Synonym Source
FDS-LNH-I SUBMITTER
Citation Waiting for Citations Type Source
26613816 PubMed citation SUBMITTER