a (hydroxy)phthioceranyl-[(hydroxy)phthioceranic acid synthase]

Properties Image MNX_ID MNXM165323 reference metacycM:hydroxy-phthioceranyl-PKS2 formula C40H71N3O9PS*6 global charge -1 mol weight   InChIKey   InChI   SMILES [*]CC[C@@H]([*])[C@H]([*])[C@@H]([*])[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(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OC[C@H](N[*])C([*])=O MNX internals InChI (mnx) InChI=1/C46H90N3O9PS/c1-16-17-35(7)38(10)39(11)36(8)26-33(5)24-31(3)22-30(2)23-32(4)25-34(6)27-37(9)45(54)60-21-20-48-42(51)18-19-49-44(53)43(52)46(13,14)29-58-59(55,56)57-28-41(47-15)40(12)50/h30-39,41,43,47,52H,16-29H2,1-15H3,(H,48,51)(H,49,53)(H,55,56)/t30-,31+,32-,33+,34-,35+,36+,37-,38-,39-,41-,43-/m0/s1/i1+1,7+1,10+1,11+1,12+1,15+1 SMILES (mnx) [13CH3:1][CH2:16][CH2:17][C@@H:35]([13CH3:7])[C@H:38]([13CH3:10])[C@@H:39]([13CH3:11])[C@H:36]([CH3:8])[CH2:26][C@H:33]([CH3:5])[CH2:24][C@H:31]([CH3:3])[CH2:22][C@H:30]([CH3:2])[CH2:23][C@H:32]([CH3:4])[CH2:25][C@H:34]([CH3:6])[CH2:27][C@H:37]([CH3:9])[C:45](=[O:54])[S:60][CH2:21][CH2:20][N:48]=[C:42]([CH2:18][CH2:19][N:49]=[C:44]([C@@H:43]([C:46]([CH3:13])([CH3:14])[CH2:29][O:58][P:59]([OH:55])(=[O:56])[O:57][CH2:28][C@@H:41]([C:40]([13CH3:12])=[O:50])[NH:47][13CH3:15])[OH:52])[OH:53])[OH:51]

Parent-child relations graph

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