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

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

Properties Image MNX_ID MNXM1133880 reference metacycM:3-oxo-docosanoyl-TYPE-I-FAS-ACPs formula C36H65N3O10PS*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)CCCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C38H72N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32(43)28-35(45)53-27-26-40-34(44)24-25-41-37(47)36(46)38(3,4)30-51-52(48,49)50-29-33(39-5)31(2)42/h33,36,39,46H,6-30H2,1-5H3,(H,40,44)(H,41,47)(H,48,49)/t33-,36-/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][C:31]([CH2:26][C:33](=[O:43])[O:51][CH2:25][CH2:24][CH2:38][C:32]([CH2:22][CH2:23][NH:39][C:35]([C@H:34]([C:36]([13CH3:2])([CH3:3])[CH2:29][O:49][O:50]([OH:46])(=[O:47])[O:48][CH2:28][CH:30]([C:27](=[NH:40])[PH2:52])[CH2:37][SH:53])[OH:44])=[O:45])=[O:42])=[NH:41]

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-docosanoyl-TYPE-I-FAS-ACPs metacycM:3-oxo-docosanoyl-TYPE-I-FAS-ACPs	a 3-oxodocosanoyl-[acp domain within a fatty acid synthase]