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

Properties Image MNX_ID MNXM146520 reference metacycM:CPD-17926 formula C92H146N7O27P2* 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)N[C@H](C)C(=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/C93H153N7O27P2/c1-58(2)30-19-31-59(3)32-20-33-60(4)34-21-35-61(5)36-22-37-62(6)38-23-39-63(7)40-24-41-64(8)42-25-43-65(9)44-26-45-66(10)46-27-47-67(11)48-28-49-68(12)54-55-121-128(116,117)127-129(118,119)126-93-81(98-73(17)104)85(84(78(57-102)124-93)125-92-80(97-72(16)103)82(106)83(120-18)77(56-101)123-92)122-71(15)87(108)95-69(13)86(107)100-76(91(114)115)52-53-79(105)99-75(51-29-50-74(94)90(112)113)88(109)96-70(14)89(110)111/h30,32,34,36,38,40,42,44,46,48,54,69-71,74-78,80-85,92-93,101-102,106H,19-29,31,33,35,37,39,41,43,45,47,49-53,55-57,94H2,1-18H3,(H,95,108)(H,96,109)(H,97,103)(H,98,104)(H,99,105)(H,100,107)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)/b59-32+,60-34+,61-36-,62-38-,63-40-,64-42-,65-44-,66-46-,67-48-,68-54-/t69-,70+,71+,74+,75-,76+,77+,78+,80+,81+,82+,83+,84+,85+,92-,93+/m0/s1/i18+1 SMILES (mnx) [CH3:1][C:58]([CH3:2])=[CH:30][CH2:19][CH2:31]/[C:59]([CH3:3])=[CH:32]/[CH2:20][CH2:33]/[C:60]([CH3:4])=[CH:34]/[CH2:21][CH2:35]/[C:61]([CH3:5])=[CH:36]\[CH2:22][CH2:37]/[C:62]([CH3:6])=[CH:38]\[CH2:23][CH2:39]/[C:63]([CH3:7])=[CH:40]\[CH2:24][CH2:41]/[C:64]([CH3:8])=[CH:42]\[CH2:25][CH2:43]/[C:65]([CH3:9])=[CH:44]\[CH2:26][CH2:45]/[C:66]([CH3:10])=[CH:46]\[CH2:27][CH2:47]/[C:67]([CH3:11])=[CH:48]\[CH2:28][CH2:49]/[C:68]([CH3:12])=[CH:54]\[CH2:55][O:121][P:128]([OH:116])(=[O:117])[O:127][P:129]([OH:118])(=[O:119])[O:126][C@@H:93]1[C@H:81]([N:98]=[C:73]([CH3:17])[OH:104])[C@@H:85]([O:122][C@H:71]([CH3:15])[C:87](=[N:95][C@@H:69]([CH3:13])[C:86](=[N:100][C@H:76]([CH2:52][CH2:53][C:79](=[N:99][C@@H:75]([CH2:51][CH2:29][CH2:50][C@H:74]([C:90](=[O:112])[OH:113])[NH2:94])[C:88](=[N:96][C@H:70]([CH3:14])[C:89](=[O:110])[OH:111])[OH:109])[OH:105])[C:91](=[O:114])[OH:115])[OH:107])[OH:108])[C@H:84]([O:125][C@H:92]2[C@H:80]([N:97]=[C:72]([CH3:16])[OH:103])[C@@H:82]([OH:106])[C@H:83]([O:120][13CH3:18])[C@@H:77]([CH2:56][OH:101])[O:123]2)[C@@H:78]([CH2:57][OH:102])[O:124]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0