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PIM2

PropertiesImage
MNX_IDMNXM107973 Image of MNXM107973
referencechebi:68562
formulaC56H105O23P
global charge0
mol weight1177.407
InChIKeyWQFXOEJTASQGNX-XAXPYQTGSA-N
InChIInChI=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
SMILESCCCCCCCCCCCCCCCC(=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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM107973
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:23][CH2:27][CH2:31][C:41](=[O:59])[O:72][CH2:35][CH:38]([CH2:36][O:73][P:80]([OH:70])(=[O:71])[O:79][C@@H:54]1[C@H:52]([O:77][C@@H:55]2[C@@H:50]([OH:68])[C@@H:45]([OH:63])[C@H:43]([OH:61])[C@@H:39]([CH2:33][OH:57])[O:75]2)[C@H:48]([OH:66])[C@@H:47]([OH:65])[C@H:49]([OH:67])[C@H:53]1[O:78][C@@H:56]1[C@@H:51]([OH:69])[C@@H:46]([OH:64])[C@H:44]([OH:62])[C@@H:40]([CH2:34][OH:58])[O:76]1)[O:74][C:42]([CH2:32][CH2:28][CH2:24][CH2:20][CH2:19][CH2:22][CH2:26][CH2:30][CH:37]([CH3:3])[CH2:29][CH2:25][CH2:21][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])=[O:60]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68562
chebi:68562
WQFXOEJTASQGNX-XAXPYQTGSA-N 		PIM2
1-O-(1-O-palmitoyl-2-O-tuberculostearoylglycero-3-phosphono)-2,5-di-O-D-mannopyranosyl-1-alpha-D-myo-inositol
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

bigg.metabolite:PIM2
biggM:PIM2 		Phosphatidylinositol mannoside di-mannose (tuberculosis)

seed.compound:cpd15921
seedM:cpd15921 		phosphatidylinositol mannoside di-mannose (tuberculosis)
PIM2

biggM:M_PIM2
seedM:M_cpd15921 		secondary/obsolete/fantasy identifier