EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:73867 - N-{β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc}-DHPE

ChEBI IDCHEBI:73867
ChEBI NameN-{β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc}-DHPE
Stars
ASCII NameN-{beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc}-DHPE
DefinitionAn N-glycosylated dialkylglycerophosphoethanolamine in which the alkyl groups are hexadecyl, the glycerol core has sn stereochemistry and the phosphoethanolamine unit is at position 3 and substituted on nitrogen with the branched nonasaccharide β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc.
Last Modified31 May 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC99H180N5O51P
Net Charge0
Average Mass2287.487
Monoisotopic Mass2286.13828
SMILES[H][C@@](COCCCCCCCCCCCCCCCC)(COP(=O)(O)OCCNC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C99H180N5O51P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-135-47-54(136-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)48-139-156(133,134)138-38-35-100-91-64(101-50(3)113)73(122)84(59(43-109)140-91)149-92-65(102-51(4)114)74(123)87(62(46-112)145-92)152-97-83(132)88(153-99-90(80(129)71(120)58(42-108)144-99)155-94-67(104-53(6)116)76(125)86(61(45-111)147-94)151-96-82(131)78(127)69(118)56(40-106)142-96)72(121)63(148-97)49-137-98-89(79(128)70(119)57(41-107)143-98)154-93-66(103-52(5)115)75(124)85(60(44-110)146-93)150-95-81(130)77(126)68(117)55(39-105)141-95/h54-100,105-112,117-132H,7-49H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,116)(H,133,134)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70-,71-,72-,73-,74-,75-,76-,77+,78+,79+,80+,81-,82-,83+,84-,85-,86-,87-,88+,89+,90+,91?,92+,93+,94+,95+,96+,97+,98+,99-/m1/s1
InChIKeyMSTJDVDVWWEAIA-CHWKGHMISA-N
ChEBI Ontology
Outgoing Relation(s)
N-{β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc}-DHPE (CHEBI:73867) has functional parent 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine (CHEBI:73859)
N-{β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc}-DHPE (CHEBI:73867) is a N-glycosylated dialkylglycerophosphoethanolamine (CHEBI:73866)
IUPAC Name 
2-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranosylamino]ethyl (2S)-2,3-bis(hexadecyloxy)propyl hydrogen phosphate
Citations