(2-Glc-Rib-ol)n-Rib-ol-P-Gro-P-ManNAc-GlcNAc-PP-undecaprenol

Properties Image MNX_ID MNXM163615 reference metacycM:CPD-19309 formula C85H141N2O33P4* global charge -4 mol weight   InChIKey   InChI   SMILES [*]C[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])O[C@H]1[C@H](O)[C@H](NC(C)=O)[C@H](OC2[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC/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)CCC=C(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@@H]1CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C86H148N2O33P4/c1-16-69(95)76(96)73(117-86-81(101)80(100)77(97)70(49-89)114-86)54-113-122(102,103)111-52-68(94)53-112-123(104,105)119-83-72(51-91)115-84(74(79(83)99)87-66(14)92)118-82-71(50-90)116-85(75(78(82)98)88-67(15)93)120-125(108,109)121-124(106,107)110-48-47-65(13)46-26-45-64(12)44-25-43-63(11)42-24-41-62(10)40-23-39-61(9)38-22-37-60(8)36-21-35-59(7)34-20-33-58(6)32-19-31-57(5)30-18-29-56(4)28-17-27-55(2)3/h27,29,31,33,35,37,39,41,43,45,47,68-86,89-91,94-101H,16-26,28,30,32,34,36,38,40,42,44,46,48-54H2,1-15H3,(H,87,92)(H,88,93)(H,102,103)(H,104,105)(H,106,107)(H,108,109)/b56-29+,57-31+,58-33-,59-35-,60-37-,61-39-,62-41-,63-43-,64-45-,65-47-/t68-,69+,70-,71-,72-,73-,74+,75-,76+,77-,78-,79-,80+,81-,82?,83-,84+,85-,86+/m1/s1/i1+1 SMILES (mnx) [13CH3:1][CH2:16][C@@H:69]([C@@H:76]([C@@H:73]([CH2:54][O:113][P:122]([OH:102])(=[O:103])[O:111][CH2:52][C@H:68]([CH2:53][O:112][P:123]([OH:104])(=[O:105])[O:119][C@@H:83]1[C@@H:72]([CH2:51][OH:91])[O:115][C@@H:84]([O:118][CH:82]2[C@@H:71]([CH2:50][OH:90])[O:116][C@H:85]([O:120][P:125]([OH:108])(=[O:109])[O:121][P:124]([OH:106])(=[O:107])[O:110][CH2:48]/[CH:47]=[C:65](/[CH3:13])[CH2:46][CH2:26]/[CH:45]=[C:64](/[CH3:12])[CH2:44][CH2:25]/[CH:43]=[C:63](/[CH3:11])[CH2:42][CH2:24]/[CH:41]=[C:62](/[CH3:10])[CH2:40][CH2:23]/[CH:39]=[C:61](/[CH3:9])[CH2:38][CH2:22]/[CH:37]=[C:60](/[CH3:8])[CH2:36][CH2:21]/[CH:35]=[C:59](/[CH3:7])[CH2:34][CH2:20]/[CH:33]=[C:58](/[CH3:6])[CH2:32][CH2:19]/[CH:31]=[C:57](\[CH3:5])[CH2:30][CH2:18]/[CH:29]=[C:56](\[CH3:4])[CH2:28][CH2:17][CH:27]=[C:55]([CH3:2])[CH3:3])[C@H:75]([N:88]=[C:67]([CH3:15])[OH:93])[C@H:78]2[OH:98])[C@@H:74]([N:87]=[C:66]([CH3:14])[OH:92])[C@H:79]1[OH:99])[OH:94])[O:117][C@H:86]1[C@H:81]([OH:101])[C@@H:80]([OH:100])[C@H:77]([OH:97])[C@@H:70]([CH2:49][OH:89])[O:114]1)[OH:96])[OH:95]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0