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

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][C:14]([CH3:2])([13CH2:9][CH2:25][C:26]([CH3:22])(=[CH2:23])[CH2:24][CH2:8][C@H:10]([C:7](=[CH2:18])[CH3:28])[CH2:15][CH3:29])[13CH:12]([C:13]([CH2:17][CH2:4][CH2:3][C:11]([CH2:16][CH2:5][CH2:6][CH2:27][O:66]([O:64]([CH3:37])[O:57][O:62]([CH3:35])[NH:55][O:60]([CH3:33])[CH2:53][O:58]([CH3:31])[CH2:52][O:59]([CH3:32])[NH:54][O:61]([CH3:34])[NH:56][O:63]([CH3:36])[O:65]([CH2:51][CH2:50][CH2:49][CH2:48][CH2:47][CH2:46][CH2:45][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40][CH2:39][CH2:38][CH3:30])[PH2:67])=[S:68])=[CH2:19])=[CH2:21])[CH3:20]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:C37-hydroxyphthioceranyl-PKS2 metacycM:C37-hydroxyphthioceranyl-PKS2	a C37-hydroxyphthioceranyl-[(hydroxy)phthioceranic acid synthase]
seed.compound:cpd36432 seedM:cpd36432	C37-hydroxyphthioceranyl-PKS2
seedM:M_cpd36432	secondary/obsolete/fantasy identifier