a cis-delta21-3-hydroxyC40:1-[acp]

Properties Image MNX_ID MNXM11087 reference metacycM:cis-delta21-3-hydroxyC40-ACPs formula C54H101N3O10PS*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@H](O)CCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C56H108N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-50(61)46-53(63)71-45-44-58-52(62)42-43-59-55(65)54(64)56(3,4)48-69-70(66,67)68-47-51(57-5)49(2)60/h21-22,50-51,54,57,61,64H,6-20,23-48H2,1-5H3,(H,58,62)(H,59,65)(H,66,67)/b22-21-/t50-,51+,54+/m1/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][C@H:50]([CH2:46][C:53](=[O:63])[S:71][CH2:45][CH2:44][N:58]=[C:52]([CH2:42][CH2:43][N:59]=[C:55]([C@@H:54]([C:56]([CH3:3])([CH3:4])[CH2:48][O:69][P:70]([OH:66])(=[O:67])[O:68][CH2:47][C@@H:51]([C:49]([13CH3:2])=[O:60])[NH:57][13CH3:5])[OH:64])[OH:65])[OH:62])[OH:61]

Parent-child relations graph

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