[(2-Glc)-Gro-P]n-Gro-P-ManNAc-GlcNAc-PP-undecaprenol

Properties Image MNX_ID MNXM12982 reference metacycM:Teichoic-P-Gro-Glc formula C83H137N2O32P4* global charge -4 mol weight   InChIKey   InChI   SMILES [*]OC[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](O[C@H]2[C@H](O)[C@@H](NC(C)=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)O[C@@H]2CO)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/C84H144N2O32P4/c1-55(2)26-16-27-56(3)28-17-29-57(4)30-18-31-58(5)32-19-33-59(6)34-20-35-60(7)36-21-37-61(8)38-22-39-62(9)40-23-41-63(10)42-24-43-64(11)44-25-45-65(12)46-47-107-121(102,103)118-122(104,105)117-83-74(86-67(14)91)76(94)80(71(49-88)114-83)115-82-73(85-66(13)90)77(95)81(72(50-89)113-82)116-120(100,101)109-52-68(92)51-108-119(98,99)110-54-69(53-106-15)111-84-79(97)78(96)75(93)70(48-87)112-84/h26,28,30,32,34,36,38,40,42,44,46,68-84,87-89,92-97H,16-25,27,29,31,33,35,37,39,41,43,45,47-54H2,1-15H3,(H,85,90)(H,86,91)(H,98,99)(H,100,101)(H,102,103)(H,104,105)/b56-28+,57-30+,58-32-,59-34-,60-36-,61-38-,62-40-,63-42-,64-44-,65-46-/t68-,69-,70-,71-,72-,73+,74-,75-,76-,77-,78+,79-,80-,81-,82+,83-,84+/m1/s1/i15+1 SMILES (mnx) [CH3:1][C:55]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:56]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:57]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:58]([CH3:5])=[CH:32]\[CH2:19][CH2:33]/[C:59]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:60]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:61]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:62]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:63]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:64]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:65]([CH3:12])=[CH:46]\[CH2:47][O:107][P:121]([OH:102])(=[O:103])[O:118][P:122]([OH:104])(=[O:105])[O:117][C@@H:83]1[C@H:74]([N:86]=[C:67]([CH3:14])[OH:91])[C@@H:76]([OH:94])[C@H:80]([O:115][C@H:82]2[C@@H:73]([N:85]=[C:66]([CH3:13])[OH:90])[C@@H:77]([OH:95])[C@H:81]([O:116][P:120]([OH:100])(=[O:101])[O:109][CH2:52][C@@H:68]([CH2:51][O:108][P:119]([OH:98])(=[O:99])[O:110][CH2:54][C@@H:69]([CH2:53][O:106][13CH3:15])[O:111][C@@H:84]3[C@H:79]([OH:97])[C@@H:78]([OH:96])[C@H:75]([OH:93])[C@@H:70]([CH2:48][OH:87])[O:112]3)[OH:92])[C@@H:72]([CH2:50][OH:89])[O:113]2)[C@@H:71]([CH2:49][OH:88])[O:114]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0