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CHEBI:195319 - Fucosyldisialyllacto-N-hexaose I

Default Structure
ChEBI IDCHEBI:195319
ChEBI NameFucosyldisialyllacto-N-hexaose I
Stars
DefinitionHuman Milk Oligosaccharide (HMO)
SubmitterR. Stephan
DownloadsMolfile
FormulaC68H112N4O51
Net Charge0
Average Mass1801.621
Monoisotopic Mass1800.62935
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=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
InChIKeyPPVSTAHXKVKSNH-RUMXEMEOSA-N
ChEBI Ontology
Outgoing Relation(s)
Fucosyldisialyllacto-N-hexaose I (CHEBI:195319) is a organic molecular entity (CHEBI:50860)
Synonym  Source
FDS-LNH-ISUBMITTER
Citations