a polyisoprenyl-teichoic acid

Properties Image MNX_ID MNXM21999 reference metacycM:Teichoic-Acid formula C74H121N2O22P3* global charge -3 mol weight   InChIKey   InChI   SMILES [*]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 MNX internals InChI (mnx) InChI=1/C75H127N2O22P3/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-92-101(87,88)99-102(89,90)98-75-69(77-64(14)81)70(83)72(66(48-78)95-75)96-74-68(76-63(13)80)71(84)73(67(49-79)94-74)97-100(85,86)93-51-65(82)50-91-15/h26,28,30,32,34,36,38,40,42,44,46,65-75,78-79,82-84H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,76,80)(H,77,81)(H,85,86)(H,87,88)(H,89,90)/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t65-,66-,67-,68+,69-,70-,71-,72?,73-,74+,75-/m1/s1/i15+1 SMILES (mnx) [CH3:1][C:52]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:53]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:54]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:55]([CH3:5])=[CH:32]\[CH2:19][CH2:33]/[C:56]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:57]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:58]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:59]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:60]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:61]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:62]([CH3:12])=[CH:46]\[CH2:47][O:92][P:101]([OH:87])(=[O:88])[O:99][P:102]([OH:89])(=[O:90])[O:98][C@@H:75]1[C@H:69]([N:77]=[C:64]([CH3:14])[OH:81])[C@@H:70]([OH:83])[CH:72]([O:96][C@H:74]2[C@@H:68]([N:76]=[C:63]([CH3:13])[OH:80])[C@@H:71]([OH:84])[C@H:73]([O:97][P:100]([OH:85])(=[O:86])[O:93][CH2:51][C@@H:65]([CH2:50][O:91][13CH3:15])[OH:82])[C@@H:67]([CH2:49][OH:79])[O:94]2)[C@@H:66]([CH2:48][OH:78])[O:95]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0