a trans-delta2-cis,cis-delta7,25-C44:3-[acp]

Properties Image MNX_ID MNXM13119 reference metacycM:trans-D2-cis-cis-D7-25-C44-3-ACPs formula C58H105N3O9PS*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/CCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C60H112N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-57(66)74-51-50-62-56(65)48-49-63-59(68)58(67)60(3,4)53-72-73(69,70)71-52-55(61-5)54(2)64/h23-24,41-42,46-47,55,58,61,67H,6-22,25-40,43-45,48-53H2,1-5H3,(H,62,65)(H,63,68)(H,69,70)/b24-23-,42-41-,47-46+/t55-,58-/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]/[CH:46]=[CH:47]/[C:57](=[O:66])[S:74][CH2:51][CH2:50][N:62]=[C:56]([CH2:48][CH2:49][N:63]=[C:59]([C@@H:58]([C:60]([CH3:3])([CH3:4])[CH2:53][O:72][P:73]([OH:69])(=[O:70])[O:71][CH2:52][C@@H:55]([C:54]([13CH3:2])=[O:64])[NH:61][13CH3:5])[OH:67])[OH:68])[OH:65]

Parent-child relations graph

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