EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195318 - Lacto-N-neodecaose

Default Structure
ChEBI IDCHEBI:195318
ChEBI NameLacto-N-neodecaose
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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[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)69-29-39(91)52(117-64-47(99)42(94)33(85)19(5-73)109-64)24(10-78)112-60(29)105-13-27-37(89)57(122-62-31(71-17(3)83)41(93)54(26(12-80)114-62)118-65-48(100)43(95)34(86)20(6-74)110-65)50(102)67(115-27)119-53-25(11-79)113-61(30(40(53)92)70-16(2)82)106-14-28-38(90)58(51(103)68(116-28)120-55-23(9-77)107-59(104)46(98)45(55)97)123-63-32(72-18(4)84)56(36(88)22(8-76)108-63)121-66-49(101)44(96)35(87)21(7-75)111-66/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
InChIKeyXZTNLNCOPJRSMH-IOOKALFSSA-N
ChEBI Ontology
Outgoing Relation(s)
Lacto-N-neodecaose (CHEBI:195318) is a organic molecular entity (CHEBI:50860)
Synonym  Source
LNnDSUBMITTER
Citations