ChEBI

CHEBI:90367 - 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 Name 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 ID CHEBI:90367 ChEBI ASCII Name 2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphonato}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol Definition An anionic phospholipid that is the conjugate base 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, obtained by deprotonation of the phosphate group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C88H164O25P Net Charge -1 Average Mass 1653.206 Monoisotopic Mass 1652.13048 InChI InChI=1S/C88H165O25P/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)/p-1/t67-,68+,69+,70+,75+,76+,77-,78-,79+,80+,81-,82-,83-,84+,85+,86+,87+,88+/m0/s1 InChIKey MYPOSGOZZDXYFW-RCAOBOKWSA-M SMILES O([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(CCCCCCCCCCCCCCC)=O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)P(=O)([O-])OC[C@@H](COC(CCCCCCCC[C@H](CCCCCCCC)C)=O)OC(CCCCCCCCCCCCCCC)=O Metabolite of Species Details Mycobacterium tuberculosis (NCBI:txid1773) See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. (via 2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphonato}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol ) allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. (via 2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphonato}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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) has role allergen (CHEBI:50904) 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) has role bacterial metabolite (CHEBI:76969) 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) is a anionic phospholipid (CHEBI:62643) 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) is conjugate base 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 (CHEBI:90366) Incoming 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 (CHEBI:90366) is conjugate acid of 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) IUPAC Name (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 Sources (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 phosphate IUPAC PIM ChEBI Citation Type Source 26466957 PubMed citation Europe PMC Last Modified 17 May 2017