**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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][C:14]([CH3:2])([CH2:9][CH2:25][C:26]([CH3:22])(=[CH2:23])[CH2:24][CH2:8][13C@H:10]([13C:7](=[CH2:18])[CH3:28])[13CH2:15][CH3:29])[13C@H:12]([C:13]([CH2:17][CH2:4][CH2:3][13C:11]([CH2:16][CH2:5][CH2:6][CH2:27][O:55]([O:54]([CH3:37])[NH:47][O:53]([CH3:36])[CH2:46][O:52]([CH3:35])[CH2:45][O:51]([CH3:34])[CH2:44][O:50]([CH3:33])[CH2:43][N:49]([CH3:32])[CH2:42][N:48]([CH3:31])[C@H:41]([C@H:40]([C@H:39]([CH2:38][CH2:30][SH:60])[PH2:59])[OH:58])[OH:57])=[O:56])=[CH2:19])=[CH2:21])[CH3:20]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:hydroxy-phthioceranyl-PKS2 metacycM:hydroxy-phthioceranyl-PKS2	a (hydroxy)phthioceranyl-[(hydroxy)phthioceranic acid synthase]