O-(S-3-(2,4-dioxopentyl)-2,3,6,8,9-pentahydroxy-1-oxo-1,2,3,4-tetrahydroanthracene-2-carboxylpantetheine-4'-phosphoryl)-L-serine residue

Properties Image MNX_ID MNXM1133192 reference chebi:149688 formula C34H41N3O17PS*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)C1(O)C(=O)C2=C(O)C3=C(O)C=C(O)C=C3C=C2CC1(O)CC(=O)CC(C)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C36H48N3O17PS/c1-18(40)10-23(43)15-35(51)14-21-11-20-12-22(42)13-25(44)27(20)29(46)28(21)30(47)36(35,52)33(50)58-9-8-38-26(45)6-7-39-32(49)31(48)34(3,4)17-56-57(53,54)55-16-24(37-5)19(2)41/h11-13,24,31,37,42,44,46,48,51-52H,6-10,14-17H2,1-5H3,(H,38,45)(H,39,49)(H,53,54)/t24-,31-,35?,36?/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C:18]([CH2:10][C:23]([CH2:15][C:35]1([OH:51])[CH2:14][C:21]2=[C:28]([C:29]([OH:46])=[C:27]3[C:20](=[CH:11]2)[CH:12]=[C:22]([OH:42])[CH:13]=[C:25]3[OH:44])[C:30](=[O:47])[C:36]1([C:33](=[O:50])[S:58][CH2:9][CH2:8][N:38]=[C:26]([CH2:6][CH2:7][N:39]=[C:32]([C@@H:31]([C:34]([CH3:3])([CH3:4])[CH2:17][O:56][P:57]([OH:53])(=[O:54])[O:55][CH2:16][C@@H:24]([C:19]([13CH3:2])=[O:41])[NH:37][13CH3:5])[OH:48])[OH:49])[OH:45])[OH:52])=[O:43])=[O:40]

Parent-child relations graph

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