a trans-delta2-cis,cis-delta15,33-C52:3-[acp]

Properties Image MNX_ID MNXM13110 reference metacycM:trans-D2-cis-cis-D15-33-C52-3-ACPs formula C66H121N3O9PS*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/CCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C68H128N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-65(74)82-59-58-70-64(73)56-57-71-67(76)66(75)68(3,4)61-80-81(77,78)79-60-63(69-5)62(2)72/h23-24,41-42,54-55,63,66,69,75H,6-22,25-40,43-53,56-61H2,1-5H3,(H,70,73)(H,71,76)(H,77,78)/b24-23-,42-41-,55-54+/t63-,66-/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]/[CH:23]=[CH: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]/[CH:41]=[CH:42]\[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]/[CH:54]=[CH:55]/[C:65](=[O:74])[S:82][CH2:59][CH2:58][N:70]=[C:64]([CH2:56][CH2:57][N:71]=[C:67]([C@@H:66]([C:68]([CH3:3])([CH3:4])[CH2:61][O:80][P:81]([OH:77])(=[O:78])[O:79][CH2:60][C@@H:63]([C:62]([13CH3:2])=[O:72])[NH:69][13CH3:5])[OH:75])[OH:76])[OH:73]

Parent-child relations graph

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