UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine

Properties Image MNX_ID MNXM732166 reference chebi:61386 formula C41H61N9O28P2 global charge -4 mol weight 1189.922 InChIKey IMWOXEZVYQDRDF-MCZXNMLPSA-J InChI InChI=1S/C41H65N9O28P2/c1-15(32(58)45-17(3)37(62)63)44-35(61)21(8-6-7-20(42)38(64)65)47-25(53)10-9-22(39(66)67)48-33(59)16(2)43-34(60)18(4)74-31-27(46-19(5)52)40(76-23(13-51)29(31)56)77-80(71,72)78-79(69,70)73-14-24-28(55)30(57)36(75-24)50-12-11-26(54)49-41(50)68/h11-12,15-18,20-24,27-31,36,40,51,55-57H,6-10,13-14,42H2,1-5H3,(H,43,60)(H,44,61)(H,45,58)(H,46,52)(H,47,53)(H,48,59)(H,62,63)(H,64,65)(H,66,67)(H,69,70)(H,71,72)(H,49,54,68)/p-4/t15-,16+,17-,18-,20-,21+,22-,23-,24-,27-,28-,29-,30-,31-,36-,40-/m1/s1 SMILES CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[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)N[C@H](C)C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C41H65N9O28P2/c1-15(32(58)45-17(3)37(62)63)44-35(61)21(8-6-7-20(42)38(64)65)47-25(53)10-9-22(39(66)67)48-33(59)16(2)43-34(60)18(4)74-31-27(46-19(5)52)40(76-23(13-51)29(31)56)77-80(71,72)78-79(69,70)73-14-24-28(55)30(57)36(75-24)50-12-11-26(54)49-41(50)68/h11-12,15-18,20-24,27-31,36,40,51,55-57H,6-10,13-14,42H2,1-5H3,(H,43,60)(H,44,61)(H,45,58)(H,46,52)(H,47,53)(H,48,59)(H,62,63)(H,64,65)(H,66,67)(H,69,70)(H,71,72)(H,49,54,68)/t15-,16+,17-,18-,20-,21+,22-,23-,24-,27-,28-,29-,30-,31-,36-,40-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([C:32](=[N:45][C@H:17]([CH3:3])[C:37](=[O:62])[OH:63])[OH:58])[N:44]=[C:35]([C@H:21]([CH2:8][CH2:6][CH2:7][C@H:20]([C:38](=[O:64])[OH:65])[NH2:42])[N:47]=[C:25]([CH2:10][CH2:9][C@H:22]([C:39](=[O:66])[OH:67])[N:48]=[C:33]([C@H:16]([CH3:2])[N:43]=[C:34]([C@@H:18]([CH3:4])[O:74][C@@H:31]1[C@@H:27]([N:46]=[C:19]([CH3:5])[OH:52])[C@@H:40]([O:77][P:80]([OH:71])(=[O:72])[O:78][P:79]([OH:69])(=[O:70])[O:73][CH2:14][C@@H:24]2[C@@H:28]([OH:55])[C@@H:30]([OH:57])[C@H:36]([N:50]3[CH:12]=[CH:11][C:26]([OH:54])=[N:49][C:41]3=[O:68])[O:75]2)[O:76][C@H:23]([CH2:13][OH:51])[C@H:29]1[OH:56])[OH:60])[OH:59])[OH:53])[OH:61]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 4