a trans-delta2-cis-delta21-C40:2-[acp]

Properties Image MNX_ID MNXM13126 reference metacycM:trans-D2-cis-D21-C40-ACPs formula C54H99N3O9PS*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/CCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C56H106N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-53(62)70-47-46-58-52(61)44-45-59-55(64)54(63)56(3,4)49-68-69(65,66)67-48-51(57-5)50(2)60/h21-22,42-43,51,54,57,63H,6-20,23-41,44-49H2,1-5H3,(H,58,61)(H,59,64)(H,65,66)/b22-21-,43-42+/t51-,54-/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]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]/[CH:42]=[CH:43]/[C:53](=[O:62])[S:70][CH2:47][CH2:46][N:58]=[C:52]([CH2:44][CH2:45][N:59]=[C:55]([C@@H:54]([C:56]([CH3:3])([CH3:4])[CH2:49][O:68][P:69]([OH:65])(=[O:66])[O:67][CH2:48][C@@H:51]([C:50]([13CH3:2])=[O:60])[NH:57][13CH3:5])[OH:63])[OH:64])[OH:61]

Parent-child relations graph

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