a cis,cis-delta9,27-3-hydroxyC46:2-[acp]

Properties Image MNX_ID MNXM11061 reference metacycM:cis-cis-D9-27-3-hydroxyC46-2-ACPs formula C60H111N3O10PS*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)CCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C62H118N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-56(67)52-59(69)77-51-50-64-58(68)48-49-65-61(71)60(70)62(3,4)54-75-76(72,73)74-53-57(63-5)55(2)66/h23-24,41-42,56-57,60,63,67,70H,6-22,25-40,43-54H2,1-5H3,(H,64,68)(H,65,71)(H,72,73)/b24-23-,42-41-/t56-,57+,60+/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][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][C@H:56]([CH2:52][C:59](=[O:69])[S:77][CH2:51][CH2:50][N:64]=[C:58]([CH2:48][CH2:49][N:65]=[C:61]([C@@H:60]([C:62]([CH3:3])([CH3:4])[CH2:54][O:75][P:76]([OH:72])(=[O:73])[O:74][CH2:53][C@@H:57]([C:55]([13CH3:2])=[O:66])[NH:63][13CH3:5])[OH:70])[OH:71])[OH:68])[OH:67]

Parent-child relations graph

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