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CHEBI:195317 - Lacto-N-decaose

Default Structure
ChEBI IDCHEBI:195317
ChEBI NameLacto-N-decaose
Stars
DefinitionHuman milk oligosaccharide (HMO)
SubmitterR. Stephan
DownloadsMolfile
FormulaC68H114N4O51
Net Charge0
Average Mass1803.637
Monoisotopic Mass1802.64500
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]4O[C@@H](O[C@H]5[C@H](O)[C@@H](O)C(O)O[C@@H]5CO)[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[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]1O
InChIInChI=1S/C68H114N4O51/c1-15(81)69-29-40(92)52(117-64-47(99)42(94)33(85)19(5-73)110-64)25(11-79)113-60(29)105-13-27-38(90)57(122-62-31(71-17(3)83)55(36(88)22(8-76)108-62)120-65-48(100)43(95)34(86)20(6-74)111-65)50(102)67(115-27)118-53-26(12-80)114-61(30(41(53)93)70-16(2)82)106-14-28-39(91)58(51(103)68(116-28)119-54-24(10-78)107-59(104)46(98)45(54)97)123-63-32(72-18(4)84)56(37(89)23(9-77)109-63)121-66-49(101)44(96)35(87)21(7-75)112-66/h19-68,73-80,85-104H,5-14H2,1-4H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)/t19-,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-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57+,58+,59?,60-,61-,62+,63+,64+,65+,66+,67+,68+/m1/s1
InChIKeyMTMNAHRXCPNHIW-KNJTYGQXSA-N
ChEBI Ontology
Outgoing Relation(s)
Lacto-N-decaose (CHEBI:195317) is a organic molecular entity (CHEBI:50860)
Synonym  Source
LNDSUBMITTER
Citations