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

Properties Image MNX_ID MNXM1133879 reference metacycM:3-oxo-cerotoyl-TYPE-I-FAS-ACPs formula C40H73N3O10PS*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)CCCCCCCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C42H80N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-36(47)32-39(49)57-31-30-44-38(48)28-29-45-41(51)40(50)42(3,4)34-55-56(52,53)54-33-37(43-5)35(2)46/h37,40,43,50H,6-34H2,1-5H3,(H,44,48)(H,45,51)(H,52,53)/t37-,40-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][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][CH2:24][CH2:25][CH2:26][CH2:27][C:36]([CH2:32][C:39](=[O:49])[S:57][CH2:31][CH2:30][N:44]=[C:38]([CH2:28][CH2:29][N:45]=[C:41]([C@@H:40]([C:42]([CH3:3])([CH3:4])[CH2:34][O:55][P:56]([OH:52])(=[O:53])[O:54][CH2:33][C@@H:37]([C:35]([13CH3:2])=[O:46])[NH:43][13CH3:5])[OH:50])[OH:51])[OH:48])=[O:47]

Parent-child relations graph

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