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

a 3-oxotetracosanoyl-[acp domain within a fatty acid synthase]

Properties Image MNX_ID MNXM1133882 reference metacycM:3-oxo-lignoceroyl-TYPE-I-FAS-ACPs formula C38H69N3O10PS*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)CC(=O)CCCCCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C40H76N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-34(45)30-37(47)55-29-28-42-36(46)26-27-43-39(49)38(48)40(3,4)32-53-54(50,51)52-31-35(41-5)33(2)44/h35,38,41,48H,6-32H2,1-5H3,(H,42,46)(H,43,49)(H,50,51)/t35-,38-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:4][13CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:33]([CH2:28][C:35](=[O:45])[O:53][CH2:27][CH2:26][CH2:40][C:34]([CH2:24][CH2:25][NH:41][C:37]([C@H:36]([C:38]([13CH3:2])([CH3:3])[CH2:31][O:51][O:52]([OH:48])(=[O:49])[O:50][CH2:30][CH:32]([C:29](=[NH:42])[PH2:54])[CH2:39][SH:55])[OH:46])=[O:47])=[O:44])=[NH:43]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:3-oxo-lignoceroyl-TYPE-I-FAS-ACPs metacycM:3-oxo-lignoceroyl-TYPE-I-FAS-ACPs	a 3-oxotetracosanoyl-[acp domain within a fatty acid synthase] a 3-oxolignoceroyl-[acp] a 3-oxolignoceroyl-[acyl-carrier-protein]