Search MNXref
 Feedback

PIM6

PropertiesImage
MNX_IDMNXM76599 Image of MNXM76599
referencechebi:59636
formulaC81H147O43P
global charge0
mol weight1839.998
InChIKeyPVRNLLQYWFCITI-YRZCAKCQSA-N
InChIInChI=1S/C81H147O43P/c1-4-6-8-10-12-14-15-16-17-18-20-24-28-32-50(86)109-38-43(113-51(87)33-29-25-21-23-27-31-42(3)30-26-22-19-13-11-9-7-5-2)39-112-125(107,108)124-75-71(120-77-68(104)58(94)52(88)44(34-82)114-77)65(101)62(98)66(102)72(75)121-79-70(106)61(97)57(93)49(119-79)40-110-76-67(103)60(96)56(92)48(118-76)41-111-80-73(63(99)54(90)46(36-84)116-80)123-81-74(64(100)55(91)47(37-85)117-81)122-78-69(105)59(95)53(89)45(35-83)115-78/h42-49,52-85,88-106H,4-41H2,1-3H3,(H,107,108)/t42?,43?,44-,45-,46-,47-,48-,49-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62-,63+,64+,65-,66+,67+,68+,69+,70+,71-,72-,73+,74+,75-,76+,77-,78-,79-,80+,81-/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]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCC(C)CCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C81H147O43P/c1-4-6-8-10-12-14-15-16-17-18-20-24-28-32-50(86)109-38-43(113-51(87)33-29-25-21-23-27-31-42(3)30-26-22-19-13-11-9-7-5-2)39-112-125(107,108)124-75-71(120-77-68(104)58(94)52(88)44(34-82)114-77)65(101)62(98)66(102)72(75)121-79-70(106)61(97)57(93)49(119-79)40-110-76-67(103)60(96)56(92)48(118-76)41-111-80-73(63(99)54(90)46(36-84)116-80)123-81-74(64(100)55(91)47(37-85)117-81)122-78-69(105)59(95)53(89)45(35-83)115-78/h42-49,52-85,88-106H,4-41H2,1-3H3,(H,107,108)/t42?,43?,44-,45-,46-,47-,48-,49-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62-,63+,64+,65-,66+,67+,68+,69+,70+,71-,72-,73+,74+,75-,76+,77-,78-,79-,80+,81-/m1/s1 Image of MNXM76599
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:24][CH2:28][CH2:32][C:50](=[O:86])[O:109][CH2:38][CH:43]([CH2:39][O:112][P:125]([OH:107])(=[O:108])[O:124][C@@H:75]1[C@H:71]([O:120][C@@H:77]2[C@@H:68]([OH:104])[C@@H:58]([OH:94])[C@H:52]([OH:88])[C@@H:44]([CH2:34][OH:82])[O:114]2)[C@H:65]([OH:101])[C@@H:62]([OH:98])[C@H:66]([OH:102])[C@H:72]1[O:121][C@@H:79]1[C@@H:70]([OH:106])[C@@H:61]([OH:97])[C@H:57]([OH:93])[C@@H:49]([CH2:40][O:110][C@@H:76]2[C@@H:67]([OH:103])[C@@H:60]([OH:96])[C@H:56]([OH:92])[C@@H:48]([CH2:41][O:111][C@@H:80]3[C@@H:73]([O:123][C@@H:81]4[C@@H:74]([O:122][C@@H:78]5[C@@H:69]([OH:105])[C@@H:59]([OH:95])[C@H:53]([OH:89])[C@@H:45]([CH2:35][OH:83])[O:115]5)[C@@H:64]([OH:100])[C@H:55]([OH:91])[C@@H:47]([CH2:37][OH:85])[O:117]4)[C@@H:63]([OH:99])[C@H:54]([OH:90])[C@@H:46]([CH2:36][OH:84])[O:116]3)[O:118]2)[O:119]1)[O:113][C:51]([CH2:33][CH2:29][CH2:25][CH2:21][CH2:23][CH2:27][CH2:31][CH:42]([CH3:3])[CH2:30][CH2:26][CH2:22][CH2:19][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])=[O:87]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:59636
chebi:59636
PVRNLLQYWFCITI-YRZCAKCQSA-N 		PIM6
1-[(hydroxy{[(1R,2R,3S,4R,5R,6R)-3,4,5-trihydroxy-2-{[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl]oxy}-6-(alpha-D-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl)oxy]-3-(palmitoyloxy)propan-2-yl 9-methylnonadecanoate

bigg.metabolite:PIM6
biggM:PIM6 		Phosphatidylinositol mannoside hexa-mannose (tuberculosis)

seed.compound:cpd15925
seedM:cpd15925 		phosphatidylinositol mannoside hexa-mannose (tuberculosis)
PIM6

biggM:M_PIM6
seedM:M_cpd15925 		secondary/obsolete/fantasy identifier