a cis,cis-delta19,37-3-oxo-C56:2-[acp]

Properties Image MNX_ID MNXM11040 reference metacycM:cis-cis-D19-37-3-oxo-C56-2-ACPs formula C70H129N3O10PS*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)CCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C72H136N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-66(77)62-69(79)87-61-60-74-68(78)58-59-75-71(81)70(80)72(3,4)64-85-86(82,83)84-63-67(73-5)65(2)76/h23-24,41-42,67,70,73,80H,6-22,25-40,43-64H2,1-5H3,(H,74,78)(H,75,81)(H,82,83)/b24-23-,42-41-/t67-,70-/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][CH2:54][CH2:55][CH2:56][CH2:57][C:66]([CH2:62][C:69](=[O:79])[S:87][CH2:61][CH2:60][N:74]=[C:68]([CH2:58][CH2:59][N:75]=[C:71]([C@@H:70]([C:72]([CH3:3])([CH3:4])[CH2:64][O:85][P:86]([OH:82])(=[O:83])[O:84][CH2:63][C@@H:67]([C:65]([13CH3:2])=[O:76])[NH:73][13CH3:5])[OH:80])[OH:81])[OH:78])=[O:77]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0