a 3-hydroxy-4-methyl-anthranilyl-L-threonyl-D-valyl-[AcmD acyl-carrier protein]

Properties Image MNX_ID MNXM164427 reference metacycM:4-MHA-THR-VAL-AcmD-Proteins formula C31H48N6O13PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C(N)C(O)=C(C)C=C1)[C@@H](C)O)C(C)C)C([*])=O MNX internals InChI (mnx) InChI=1/C33H55N6O13PS/c1-17(2)25(38-30(46)26(20(5)41)39-29(45)21-10-9-18(3)27(43)24(21)34)32(48)54-14-13-36-23(42)11-12-37-31(47)28(44)33(6,7)16-52-53(49,50)51-15-22(35-8)19(4)40/h9-10,17,20,22,25-26,28,35,41,43-44H,11-16,34H2,1-8H3,(H,36,42)(H,37,47)(H,38,46)(H,39,45)(H,49,50)/t20-,22+,25-,26+,28+/m1/s1/i4+1,8+1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[C@H:25]([C:32](=[O:48])[S:54][CH2:14][CH2:13][N:36]=[C:23]([CH2:11][CH2:12][N:37]=[C:31]([C@@H:28]([C:33]([CH3:6])([CH3:7])[CH2:16][O:52][P:53]([OH:49])(=[O:50])[O:51][CH2:15][C@@H:22]([C:19]([13CH3:4])=[O:40])[NH:35][13CH3:8])[OH:44])[OH:47])[OH:42])[N:38]=[C:30]([C@H:26]([C@@H:20]([CH3:5])[OH:41])[N:39]=[C:29]([C:21]1=[C:24]([NH2:34])[C:27]([OH:43])=[C:18]([CH3:3])[CH:9]=[CH:10]1)[OH:45])[OH:46]

Parent-child relations graph

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