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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
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Download Molfile XML SDF
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