a C37-hydroxyphthioceranyl-[(hydroxy)phthioceranic acid synthase]

Properties Image MNX_ID MNXM164647 reference metacycM:C37-hydroxyphthioceranyl-PKS2 formula C51H97N3O10PS*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](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C53H104N3O10PS/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-26-48(58)44(7)35-42(5)33-40(3)31-39(2)32-41(4)34-43(6)36-45(8)52(62)68-30-29-55-49(59)27-28-56-51(61)50(60)53(10,11)38-66-67(63,64)65-37-47(54-12)46(9)57/h39-45,47-48,50,54,58,60H,13-38H2,1-12H3,(H,55,59)(H,56,61)(H,63,64)/t39-,40+,41-,42+,43-,44+,45-,47-,48+,50-/m0/s1/i9+1,12+1 SMILES (mnx) [CH3:1][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C@H:48]([C@H:44]([CH3:7])[CH2:35][C@H:42]([CH3:5])[CH2:33][C@H:40]([CH3:3])[CH2:31][C@H:39]([CH3:2])[CH2:32][C@H:41]([CH3:4])[CH2:34][C@H:43]([CH3:6])[CH2:36][C@H:45]([CH3:8])[C:52](=[O:62])[S:68][CH2:30][CH2:29][N:55]=[C:49]([CH2:27][CH2:28][N:56]=[C:51]([C@@H:50]([C:53]([CH3:10])([CH3:11])[CH2:38][O:66][P:67]([OH:63])(=[O:64])[O:65][CH2:37][C@@H:47]([C:46]([13CH3:9])=[O:57])[NH:54][13CH3:12])[OH:60])[OH:61])[OH:59])[OH:58]

Parent-child relations graph

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