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CHEBI:90368 - 2-O-α-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-α-D-mannosyl)-1D-myo-inositol sodium salt

ChEBI IDCHEBI:90368
ChEBI Name2-O-α-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-α-D-mannosyl)-1D-myo-inositol sodium salt
Stars
ASCII Name2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol sodium salt
DefinitionAn organic sodium salt that is the monosodium salt of 2-O-α-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-α-D-mannosyl)-1D-myo-inositol.
Last Modified13 November 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC88H164O25P.Na
Net Charge0
Average Mass1676.219
Monoisotopic Mass1675.11970
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCC[C@@H](C)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2OC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]1O.[Na+]
InChIInChI=1S/C88H165O25P.Na/c1-6-10-14-18-22-25-28-31-34-37-40-47-54-60-72(91)105-66-70-76(95)78(97)82(101)88(109-70)112-85-83(110-74(93)62-56-50-42-39-36-33-30-27-24-20-16-12-8-3)79(98)80(99)84(111-87-81(100)77(96)75(94)69(63-89)108-87)86(85)113-114(102,103)106-65-68(107-73(92)61-55-49-41-38-35-32-29-26-23-19-15-11-7-2)64-104-71(90)59-53-48-44-43-46-52-58-67(5)57-51-45-21-17-13-9-4;/h67-70,75-89,94-101H,6-66H2,1-5H3,(H,102,103);/q;+1/p-1/t67-,68+,69+,70+,75+,76+,77-,78-,79+,80+,81-,82-,83-,84+,85+,86+,87+,88+;/m0./s1
InChIKeyHLSVMHSHQDVCFJ-FNXVCBBASA-M
ChEBI Ontology
Outgoing Relation(s)
2-O-α-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-α-D-mannosyl)-1D-myo-inositol sodium salt (CHEBI:90368) has part 2-O-α-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphonato}-5-O-palmitoyl-6-O-(6-O-palmitoyl-α-D-mannosyl)-1D-myo-inositol (CHEBI:90367)
2-O-α-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-α-D-mannosyl)-1D-myo-inositol sodium salt (CHEBI:90368) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (1R,2R,3S,4R,5R,6R)-2-[(6-O-hexadecanoyl-α-D-mannopyranosyl)oxy]-3-(hexadecanoyloxy)-4,5-dihydroxy-6-(α-D-mannopyranosyloxy)cyclohexyl (2R)-2-(hexadecanoyloxy)-3-{[(10S)-10-methyloctadecanoyl]oxy}propyl phosphate
Synonyms  Source
sodium (1R,2R,3R,4R,5S,6R)-3,4-dihydroxy-2-(α-D-mannopyranosyloxy)-6-[(6-O-palmitoyl-α-D-mannopyranosyl)oxy]-5-(palmitoyloxy)cyclohexyl (2R)-3-{[(10S)-10-methyloctadecanoyl]oxy}-2-(palmitoyloxy)propyl phosphateIUPAC
PIMChEBI
Citations