a trans-delta2-cis,cis-delta13,31-C50:3-[acp]

Properties Image MNX_ID MNXM13108 reference metacycM:trans-D2-cis-cis-D13-31-C50-3-ACPs formula C64H117N3O9PS*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/CCCCCCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C66H124N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-63(72)80-57-56-68-62(71)54-55-69-65(74)64(73)66(3,4)59-78-79(75,76)77-58-61(67-5)60(2)70/h23-24,41-42,52-53,61,64,67,73H,6-22,25-40,43-51,54-59H2,1-5H3,(H,68,71)(H,69,74)(H,75,76)/b24-23-,42-41-,53-52+/t61-,64-/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]/[CH:52]=[CH:53]/[C:63](=[O:72])[S:80][CH2:57][CH2:56][N:68]=[C:62]([CH2:54][CH2:55][N:69]=[C:65]([C@@H:64]([C:66]([CH3:3])([CH3:4])[CH2:59][O:78][P:79]([OH:75])(=[O:76])[O:77][CH2:58][C@@H:61]([C:60]([13CH3:2])=[O:70])[NH:67][13CH3:5])[OH:73])[OH:74])[OH:71]

Parent-child relations graph

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