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CHEBI:61852 - 3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}octadecyl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA

ChEBI IDCHEBI:61852
ChEBI Name3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}octadecyl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA
Stars
ASCII Name3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}octadecyl alpha-D-Man-(1->2)-alpha-D-Gal-(1->6)-alpha-D-GlcN-(1->4)-alpha-D-GlcA
DefinitionA neutral glycosphingolipid comprising a tetrasaccharide unit, α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA, attached to a 3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}octadecyl lipid group.
Last Modified12 April 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC56H104N2O24
Net Charge0
Average Mass1189.438
Monoisotopic Mass1188.69790
SMILESCCCCCCCCCCCCCCCC(O)C(CO[C@H]1O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1O)NC(=O)[C@@H](O)CCCCCCCCCCCC
InChIInChI=1S/C56H104N2O24/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-33(61)32(58-51(72)34(62)27-25-23-21-18-14-12-10-8-6-4-2)30-75-54-47(71)45(69)48(50(82-54)52(73)74)80-53-38(57)42(66)41(65)37(79-53)31-76-56-49(44(68)40(64)36(29-60)78-56)81-55-46(70)43(67)39(63)35(28-59)77-55/h32-50,53-56,59-71H,3-31,57H2,1-2H3,(H,58,72)(H,73,74)/t32?,33?,34-,35+,36+,37+,38+,39+,40-,41+,42+,43-,44-,45+,46-,47+,48-,49+,50-,53+,54-,55+,56-/m0/s1
InChIKeyRCUNWHPLELPHMQ-ZVANKWSMSA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}octadecyl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA (CHEBI:61852) is a neutral glycosphingolipid (CHEBI:25513)
Incoming Relation(s)
GSL-4A glycosphingolipid (CHEBI:61857) has part 3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}octadecyl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA (CHEBI:61852)
IUPAC Name 
3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}octadecyl α-D-mannopyranosyl-(1→2)-α-D-galactopyranosyl-(1→6)-2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)-α-D-glucopyranosiduronic acid
Synonym  Source
3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}octadecyl α-D-Manp-(1→2)-α-D-Galp-(1→6)-α-D-GlcpN-(1→4)-α-D-GlcpAChEBI
Citations