a nascent peptidoglycan with (L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-glycine) tetrapeptide

Properties Image MNX_ID MNXM147992 reference metacycM:CPD-17969 formula C91H144N7O27P2* global charge -4 mol weight   InChIKey   InChI   SMILES [*]O[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[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 MNX internals InChI (mnx) InChI=1/C92H151N7O27P2/c1-58(2)29-18-30-59(3)31-19-32-60(4)33-20-34-61(5)35-21-36-62(6)37-22-38-63(7)39-23-40-64(8)41-24-42-65(9)43-25-44-66(10)45-26-46-67(11)47-27-48-68(12)53-54-120-127(115,116)126-128(117,118)125-92-81(97-72(16)103)85(84(77(57-101)123-92)124-91-80(96-71(15)102)82(107)83(119-17)76(56-100)122-91)121-70(14)87(109)95-69(13)86(108)99-75(90(113)114)51-52-78(104)98-74(88(110)94-55-79(105)106)50-28-49-73(93)89(111)112/h29,31,33,35,37,39,41,43,45,47,53,69-70,73-77,80-85,91-92,100-101,107H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-57,93H2,1-17H3,(H,94,110)(H,95,109)(H,96,102)(H,97,103)(H,98,104)(H,99,108)(H,105,106)(H,111,112)(H,113,114)(H,115,116)(H,117,118)/b59-31+,60-33+,61-35-,62-37-,63-39-,64-41-,65-43-,66-45-,67-47-,68-53-/t69-,70+,73+,74-,75+,76+,77+,80+,81+,82+,83+,84+,85+,91-,92+/m0/s1/i17+1 SMILES (mnx) [CH3:1][C:58]([CH3:2])=[CH:29][CH2:18][CH2:30]/[C:59]([CH3:3])=[CH:31]/[CH2:19][CH2:32]/[C:60]([CH3:4])=[CH:33]/[CH2:20][CH2:34]/[C:61]([CH3:5])=[CH:35]\[CH2:21][CH2:36]/[C:62]([CH3:6])=[CH:37]\[CH2:22][CH2:38]/[C:63]([CH3:7])=[CH:39]\[CH2:23][CH2:40]/[C:64]([CH3:8])=[CH:41]\[CH2:24][CH2:42]/[C:65]([CH3:9])=[CH:43]\[CH2:25][CH2:44]/[C:66]([CH3:10])=[CH:45]\[CH2:26][CH2:46]/[C:67]([CH3:11])=[CH:47]\[CH2:27][CH2:48]/[C:68]([CH3:12])=[CH:53]\[CH2:54][O:120][P:127]([OH:115])(=[O:116])[O:126][P:128]([OH:117])(=[O:118])[O:125][C@@H:92]1[C@H:81]([N:97]=[C:72]([CH3:16])[OH:103])[C@@H:85]([O:121][C@H:70]([CH3:14])[C:87](=[N:95][C@@H:69]([CH3:13])[C:86](=[N:99][C@H:75]([CH2:51][CH2:52][C:78](=[N:98][C@@H:74]([CH2:50][CH2:28][CH2:49][C@H:73]([C:89](=[O:111])[OH:112])[NH2:93])[C:88](=[N:94][CH2:55][C:79](=[O:105])[OH:106])[OH:110])[OH:104])[C:90](=[O:113])[OH:114])[OH:108])[OH:109])[C@H:84]([O:124][C@H:91]2[C@H:80]([N:96]=[C:71]([CH3:15])[OH:102])[C@@H:82]([OH:107])[C@H:83]([O:119][13CH3:17])[C@@H:76]([CH2:56][OH:100])[O:122]2)[C@@H:77]([CH2:57][OH:101])[O:123]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0