[P-6)-alpha-D-ManpN,4(3)Ac2-(1-P-6)-alpha-D-ManpN,3(4)Ac2-(1-P-6)-alpha-D-ManpN,4(3)Ac2-(1-P-6)-alpha-D-ManpN,3(4)Ac2-(1-]

Properties Image MNX_ID MNXM1133518 reference chebi:167155 formula C40H64N4O36P4*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]O[C@H]1O[C@H](COP(=O)(O)O[C@H]2O[C@H](COP(=O)(O)O[C@H]3O[C@H](COP(=O)(O)O[C@H]4O[C@H](COP([*])(=O)O)[C@@H](OC(C)=O)[C@H](O)[C@@H]4NC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H]3NC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1NC(C)=O MNX internals InChI (mnx) InChI=1/C42H70N4O36P4/c1-15(47)43-27-33(57)35(72-19(5)51)25(13-68-83(10,59)60)78-40(27)80-85(63,64)70-12-24-32(56)38(75-22(8)54)30(46-18(4)50)42(77-24)82-86(65,66)71-14-26-36(73-20(6)52)34(58)28(44-16(2)48)41(79-26)81-84(61,62)69-11-23-31(55)37(74-21(7)53)29(45-17(3)49)39(67-9)76-23/h23-42,55-58H,11-14H2,1-10H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/t23-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39+,40-,41-,42-/m1/s1/i9+1,10+1 SMILES (mnx) [CH3:1][C:15](=[N:43][C@H:27]1[C@@H:33]([OH:57])[C@H:35]([O:72][C:19]([CH3:5])=[O:51])[C@@H:25]([CH2:13][O:68][P:83]([13CH3:10])([OH:59])=[O:60])[O:78][C@@H:40]1[O:80][P:85]([OH:63])(=[O:64])[O:70][CH2:12][C@@H:24]1[C@@H:32]([OH:56])[C@H:38]([O:75][C:22]([CH3:8])=[O:54])[C@H:30]([N:46]=[C:18]([CH3:4])[OH:50])[C@@H:42]([O:82][P:86]([OH:65])(=[O:66])[O:71][CH2:14][C@@H:26]2[C@@H:36]([O:73][C:20]([CH3:6])=[O:52])[C@H:34]([OH:58])[C@H:28]([N:44]=[C:16]([CH3:2])[OH:48])[C@@H:41]([O:81][P:84]([OH:61])(=[O:62])[O:69][CH2:11][C@@H:23]3[C@@H:31]([OH:55])[C@H:37]([O:74][C:21]([CH3:7])=[O:53])[C@H:29]([N:45]=[C:17]([CH3:3])[OH:49])[C@@H:39]([O:67][13CH3:9])[O:76]3)[O:79]2)[O:77]1)[OH:47]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0