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CHEBI:61854 - 12-(2-hexylcyclopropyl)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}dodecyl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA

ChEBI IDCHEBI:61854
ChEBI Name12-(2-hexylcyclopropyl)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}dodecyl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA
Stars
ASCII Name12-(2-hexylcyclopropyl)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}dodecyl 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 12-(2-hexylcyclopropyl)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}dodecyl lipid group.
Last Modified12 April 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC59H108N2O24
Net Charge0
Average Mass1229.503
Monoisotopic Mass1228.72920
SMILESCCCCCCCCCCCC[C@H](O)C(=O)NC(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)C(O)CCCCCCCCCC1CC1CCCCCC
InChIInChI=1S/C59H108N2O24/c1-3-5-7-9-10-11-12-15-19-23-27-37(65)54(75)61-35(36(64)26-22-18-16-13-14-17-21-25-34-28-33(34)24-20-8-6-4-2)31-78-57-50(74)48(72)51(53(85-57)55(76)77)83-56-41(60)45(69)44(68)40(82-56)32-79-59-52(47(71)43(67)39(30-63)81-59)84-58-49(73)46(70)42(66)38(29-62)80-58/h33-53,56-59,62-74H,3-32,60H2,1-2H3,(H,61,75)(H,76,77)/t33?,34?,35?,36?,37-,38+,39+,40+,41+,42+,43-,44+,45+,46-,47-,48+,49-,50+,51-,52+,53-,56+,57-,58+,59-/m0/s1
InChIKeyDGQHPSAPPOUWQY-IHLGJREHSA-N
ChEBI Ontology
Outgoing Relation(s)
12-(2-hexylcyclopropyl)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}dodecyl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA (CHEBI:61854) is a neutral glycosphingolipid (CHEBI:25513)
Incoming Relation(s)
GSL-4A glycosphingolipid (CHEBI:61857) has part 12-(2-hexylcyclopropyl)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}dodecyl α-D-Man-(1→2)-α-D-Gal-(1→6)-α-D-GlcN-(1→4)-α-D-GlcA (CHEBI:61854)
IUPAC Name 
12-(2-hexylcyclopropyl)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}dodecyl 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
12-(2-hexylcyclopropyl)-3-hydroxy-2-{[(2S)-2-hydroxytetradecanoyl]amino}dodecyl α-D-Manp-(1→2)-α-D-Galp-(1→6)-α-D-GlcpN-(1→4)-α-D-GlcpAChEBI
Citations