a (2E)-tetracos-2-enoyl-[acp domain within a fatty acid synthase]

Properties Image MNX_ID MNXM1134975 reference metacycM:trans-delta2-lignoceroyl-TYPE-I-FAS-ACPs formula C38H69N3O9PS*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=C/CCCCCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C40H76N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(46)54-31-30-42-36(45)28-29-43-39(48)38(47)40(3,4)33-52-53(49,50)51-32-35(41-5)34(2)44/h26-27,35,38,41,47H,6-25,28-33H2,1-5H3,(H,42,45)(H,43,48)(H,49,50)/b27-26+/t35-,38-/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]/[CH:26]=[CH:27]/[C:37](=[O:46])[S:54][CH2:31][CH2:30][N:42]=[C:36]([CH2:28][CH2:29][N:43]=[C:39]([C@@H:38]([C:40]([CH3:3])([CH3:4])[CH2:33][O:52][P:53]([OH:49])(=[O:50])[O:51][CH2:32][C@@H:35]([C:34]([13CH3:2])=[O:44])[NH:41][13CH3:5])[OH:47])[OH:48])[OH:45]

Parent-child relations graph

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