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D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol

MNXM2971 is deprecated and here replaced by MNXM1371508
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371508 Image of MNXM1371508
referencekeggC:C19855
formulaC73H122O22P2
global charge0
mol weight1413.705
InChIKeyUSQFNTGHPUIHAS-KQIVHAJBSA-N
InChIInChI=1S/C73H122O22P2/c1-48(2)23-13-24-49(3)25-14-26-50(4)27-15-28-51(5)29-16-30-52(6)31-17-32-53(7)33-18-34-54(8)35-19-36-55(9)37-20-38-56(10)39-21-40-57(11)41-22-42-58(12)43-44-88-96(84,85)95-97(86,87)94-73-67(82)65(80)69(61(47-76)91-73)92-72-68(83)70(63(78)60(46-75)90-72)93-71-66(81)64(79)62(77)59(45-74)89-71/h23,25,27,29,31,33,35,37,39,41,43,59-83H,13-22,24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,84,85)(H,86,87)/b49-25+,50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-/t59-,60-,61-,62-,63-,64+,65-,66+,67-,68-,69-,70+,71-,72+,73-/m1/s1
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]2O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C73H122O22P2/c1-48(2)23-13-24-49(3)25-14-26-50(4)27-15-28-51(5)29-16-30-52(6)31-17-32-53(7)33-18-34-54(8)35-19-36-55(9)37-20-38-56(10)39-21-40-57(11)41-22-42-58(12)43-44-88-96(84,85)95-97(86,87)94-73-67(82)65(80)69(61(47-76)91-73)92-72-68(83)70(63(78)60(46-75)90-72)93-71-66(81)64(79)62(77)59(45-74)89-71/h23,25,27,29,31,33,35,37,39,41,43,59-83H,13-22,24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,84,85)(H,86,87)/b49-25+,50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-/t59-,60-,61-,62-,63-,64+,65-,66+,67-,68-,69-,70+,71-,72+,73-/m1/s1 Image of MNXM1371508
SMILES (mnx)[CH3:1][C:48]([CH3:2])=[CH:23][CH2:13][CH2:24]/[C:49]([CH3:3])=[CH:25]/[CH2:14][CH2:26]/[C:50]([CH3:4])=[CH:27]/[CH2:15][CH2:28]/[C:51]([CH3:5])=[CH:29]\[CH2:16][CH2:30]/[C:52]([CH3:6])=[CH:31]\[CH2:17][CH2:32]/[C:53]([CH3:7])=[CH:33]\[CH2:18][CH2:34]/[C:54]([CH3:8])=[CH:35]\[CH2:19][CH2:36]/[C:55]([CH3:9])=[CH:37]\[CH2:20][CH2:38]/[C:56]([CH3:10])=[CH:39]\[CH2:21][CH2:40]/[C:57]([CH3:11])=[CH:41]\[CH2:22][CH2:42]/[C:58]([CH3:12])=[CH:43]\[CH2:44][O:88][P:96]([OH:84])(=[O:85])[O:95][P:97]([OH:86])(=[O:87])[O:94][C@@H:73]1[C@H:67]([OH:82])[C@@H:65]([OH:80])[C@H:69]([O:92][C@H:72]2[C@H:68]([OH:83])[C@@H:70]([O:93][C@@H:71]3[C@@H:66]([OH:81])[C@@H:64]([OH:79])[C@H:62]([OH:77])[C@@H:59]([CH2:45][OH:74])[O:89]3)[C@H:63]([OH:78])[C@@H:60]([CH2:46][OH:75])[O:90]2)[C@@H:61]([CH2:47][OH:76])[O:91]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C19855
keggC:C19855
USQFNTGHPUIHAS-KQIVHAJBSA-N 		D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol

keggC:M_C19855 		secondary/obsolete/fantasy identifier