a UDP-N-acetylmuramoyl-tetrapeptide

Properties Image MNX_ID MNXM1134888 reference metacycM:UDP-NAcMur-Tetrapeptides formula C37H56N8O25P2* global charge -3 mol weight   InChIKey   InChI   SMILES [*]C([NH3+])CCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[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)[C@@H]1NC(C)=O)C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C38H62N8O25P2/c1-15(39)7-6-8-20(33(56)41-17(3)35(57)58)43-24(49)10-9-21(36(59)60)44-31(54)16(2)40-32(55)18(4)67-30-26(42-19(5)48)37(69-22(13-47)28(30)52)70-73(64,65)71-72(62,63)66-14-23-27(51)29(53)34(68-23)46-12-11-25(50)45-38(46)61/h11-12,15-18,20-23,26-30,34,37,47,51-53H,6-10,13-14,39H2,1-5H3,(H,40,55)(H,41,56)(H,42,48)(H,43,49)(H,44,54)(H,57,58)(H,59,60)(H,62,63)(H,64,65)(H,45,50,61)/t15?,16-,17+,18+,20-,21+,22+,23+,26+,27+,28+,29+,30+,34+,37+/m0/s1/i1+1 SMILES (mnx) [13CH3:1][CH:15]([CH2:7][CH2:6][CH2:8][C@@H:20]([C:33](=[N:41][C@H:17]([CH3:3])[C:35](=[O:57])[OH:58])[OH:56])[N:43]=[C:24]([CH2:10][CH2:9][C@H:21]([C:36](=[O:59])[OH:60])[N:44]=[C:31]([C@H:16]([CH3:2])[N:40]=[C:32]([C@@H:18]([CH3:4])[O:67][C@@H:30]1[C@@H:26]([N:42]=[C:19]([CH3:5])[OH:48])[C@@H:37]([O:70][P:73]([OH:64])(=[O:65])[O:71][P:72]([OH:62])(=[O:63])[O:66][CH2:14][C@@H:23]2[C@@H:27]([OH:51])[C@@H:29]([OH:53])[C@H:34]([N:46]3[CH:12]=[CH:11][C:25]([OH:50])=[N:45][C:38]3=[O:61])[O:68]2)[O:69][C@H:22]([CH2:13][OH:47])[C@H:28]1[OH:52])[OH:55])[OH:54])[OH:49])[NH2:39]

Parent-child relations graph

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