a C40-hydroxyphthioceranyl-[(hydroxy)phthioceranic acid synthase]

Properties Image MNX_ID MNXM167365 reference metacycM:C40-hydroxyphthioceranyl-PKS2 formula C54H103N3O10PS*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[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C56H110N3O10PS/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-51(61)47(8)37-45(6)35-43(4)33-41(2)32-42(3)34-44(5)36-46(7)38-48(9)55(65)71-31-30-58-52(62)28-29-59-54(64)53(63)56(11,12)40-69-70(66,67)68-39-50(57-13)49(10)60/h41-48,50-51,53,57,61,63H,14-40H2,1-13H3,(H,58,62)(H,59,64)(H,66,67)/t41-,42+,43-,44+,45-,46+,47-,48+,50+,51-,53+/m1/s1/i10+1,13+1 SMILES (mnx) [CH3:1][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][CH2:27][C@H:51]([C@H:47]([CH3:8])[CH2:37][C@H:45]([CH3:6])[CH2:35][C@H:43]([CH3:4])[CH2:33][C@H:41]([CH3:2])[CH2:32][C@H:42]([CH3:3])[CH2:34][C@H:44]([CH3:5])[CH2:36][C@H:46]([CH3:7])[CH2:38][C@H:48]([CH3:9])[C:55](=[O:65])[S:71][CH2:31][CH2:30][N:58]=[C:52]([CH2:28][CH2:29][N:59]=[C:54]([C@@H:53]([C:56]([CH3:11])([CH3:12])[CH2:40][O:69][P:70]([OH:66])(=[O:67])[O:68][CH2:39][C@@H:50]([C:49]([13CH3:10])=[O:60])[NH:57][13CH3:13])[OH:63])[OH:64])[OH:62])[OH:61]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0