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CHEBI:61853 - (13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA

ChEBI IDCHEBI:61853
ChEBI Name(13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA
Stars
ASCII Name(13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl 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 (13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl lipid group.
Last Modified12 April 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC58H106N2O24
Net Charge0
Average Mass1215.476
Monoisotopic Mass1214.71355
SMILESCCCCCC/C=C\CCCCCCCCCC(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/C58H106N2O24/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-35(63)34(60-53(74)36(64)29-27-25-23-20-14-12-10-8-6-4-2)32-77-56-49(73)47(71)50(52(84-56)54(75)76)82-55-40(59)44(68)43(67)39(81-55)33-78-58-51(46(70)42(66)38(31-62)80-58)83-57-48(72)45(69)41(65)37(30-61)79-57/h13,15,34-52,55-58,61-73H,3-12,14,16-33,59H2,1-2H3,(H,60,74)(H,75,76)/b15-13-/t34?,35?,36-,37+,38+,39+,40+,41+,42-,43+,44+,45-,46-,47+,48-,49+,50-,51+,52-,55+,56-,57+,58-/m0/s1
InChIKeyBTBZXZUTOGMCGE-CPWZWKBZSA-N
ChEBI Ontology
Outgoing Relation(s)
(13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA (CHEBI:61853) is a neutral glycosphingolipid (CHEBI:25513)
Incoming Relation(s)
GSL-4A glycosphingolipid (CHEBI:61857) has part (13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA (CHEBI:61853)
IUPAC Name 
(13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl 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
(13Z)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}icos-13-en-1-yl α-D-Manp-(1→2)-α-D-Galp-(1→6)-α-D-GlcpN-(1→4)-α-D-GlcpAChEBI
Citations