Terminology Service for NFDI4Health
PIM2
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http://purl.obolibrary.org/obo/CHEBI_68562
A phosphatidylinositol dimannoside having the phosphatidyl moiety (with acyl groups palmitoyl and tuberculostearoyl at the 1- and 2-positions respectively) at the 1-position, and with two single mannosyl residues at the 2- and 6-positions of the inositol ring.
Term info
Label
PIM2
Synonyms
- 1-[(hydroxy{[(2R,3R,5S,6R)-3,4,5-trihydroxy-2,6-bis(alpha-D-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl)oxy]-3-(palmitoyloxy)propan-2-yl 10-methyloctadecanoate
Subsets
3_STAR
IUPAC NAME
1-[(hydroxy{[(2R,3R,5S,6R)-3,4,5-trihydroxy-2,6-bis(alpha-D-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl)oxy]-3-(palmitoyloxy)propan-2-yl 10-methyloctadecanoate
[
IUPAC
]
charge
0
formula
C56H105O23P
has obo namespace
chebi_ontology
has related synonym
1-O-(1-O-palmitoyl-2-O-tuberculostearoylglycero-3-phosphono)-2,5-di-O-D-mannopyranosyl-1-alpha-D-myo-inositol
id
CHEBI:68562
inchi
InChI=1S/C56H105O23P/c1-4-6-8-10-12-13-14-15-16-17-18-23-27-31-41(59)72-35-38(74-42(60)32-28-24-20-19-22-26-30-37(3)29-25-21-11-9-7-5-2)36-73-80(70,71)79-54-52(77-55-50(68)45(63)43(61)39(33-57)75-55)48(66)47(65)49(67)53(54)78-56-51(69)46(64)44(62)40(34-58)76-56/h37-40,43-58,61-69H,4-36H2,1-3H3,(H,70,71)/t37?,38?,39-,40-,43-,44-,45+,46+,47-,48-,49+,50+,51+,52-,53-,54-,55-,56-/m1/s1
inchikey
WQFXOEJTASQGNX-XAXPYQTGSA-N
mass
1177.39290
monoisotopicmass
1176.67843
smiles
CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCC(C)CCCCCCCC