O-[S-(2S,4S,5S)-2-amino-6-(3,4-dihydroxyphenyl)-4-hydroxy-5-(methylamino)hexanoylpantetheine-4'-phosphoryl]serine residue

Properties Image MNX_ID MNXM1133623 reference chebi:167304 formula C27H45N5O12PS*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]([NH3+])C[C@H](O)[C@H](CC1=CC=C(O)C(O)=C1)[NH2+]C)C([*])=O MNX internals InChI (mnx) InChI=1/C29H50N5O12PS/c1-17(35)21(32-5)15-45-47(43,44)46-16-29(2,3)26(40)27(41)34-9-8-25(39)33-10-11-48-28(42)19(30)14-23(37)20(31-4)12-18-6-7-22(36)24(38)13-18/h6-7,13,19-21,23,26,31-32,36-38,40H,8-12,14-16,30H2,1-5H3,(H,33,39)(H,34,41)(H,43,44)/t19-,20-,21-,23-,26-/m0/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:17]([C@H:21]([CH2:15][O:45][P:47]([OH:43])(=[O:44])[O:46][CH2:16][C:29]([CH3:2])([CH3:3])[C@H:26]([C:27](=[N:34][CH2:9][CH2:8][C:25](=[N:33][CH2:10][CH2:11][S:48][C:28]([C@H:19]([CH2:14][C@@H:23]([C@H:20]([CH2:12][C:18]1=[CH:13][C:24]([OH:38])=[C:22]([OH:36])[CH:7]=[CH:6]1)[NH:31][CH3:4])[OH:37])[NH2:30])=[O:42])[OH:39])[OH:41])[OH:40])[NH:32][13CH3:5])=[O:35]

Parent-child relations graph

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