9-hydroxy-3,5,7,11,13,15,17,19-octaoxohenicosanoyl-[acp]

Properties Image MNX_ID MNXM147889 reference metacycM:CPD-15803 formula C35H49N3O18PS*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)CC(=O)CC(=O)CC(=O)CC(O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C37H56N3O18PS/c1-6-23(42)11-24(43)12-25(44)13-26(45)14-27(46)15-28(47)16-29(48)17-30(49)18-31(50)19-34(52)60-10-9-39-33(51)7-8-40-36(54)35(53)37(3,4)21-58-59(55,56)57-20-32(38-5)22(2)41/h28,32,35,38,47,53H,6-21H2,1-5H3,(H,39,51)(H,40,54)(H,55,56)/t28?,32-,35-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][C:23]([CH2:11][C:24]([CH2:12][C:25]([CH2:13][C:26]([CH2:14][C:27]([CH2:15][CH:28]([CH2:16][C:29]([CH2:17][C:30]([CH2:18][C:31]([CH2:19][C:34](=[O:52])[S:60][CH2:10][CH2:9][N:39]=[C:33]([CH2:7][CH2:8][N:40]=[C:36]([C@@H:35]([C:37]([CH3:3])([CH3:4])[CH2:21][O:58][P:59]([OH:55])(=[O:56])[O:57][CH2:20][C@@H:32]([C:22]([13CH3:2])=[O:41])[NH:38][13CH3:5])[OH:53])[OH:54])[OH:51])=[O:50])=[O:49])=[O:48])[OH:47])=[O:46])=[O:45])=[O:44])=[O:43])=[O:42]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0