a lineolate-L-ornithine-L-threonine-trans-hydroxy-L-prolyl-[acp]

Properties Image MNX_ID MNXM148518 reference metacycM:CPD-17743 formula C46H80N7O14PS*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C(CCC[NH3+])NC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C48H86N7O14PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-41(60)53-37(23-22-26-49)44(62)54-42(35(3)57)46(64)55-31-36(58)30-39(55)47(65)71-29-28-51-40(59)25-27-52-45(63)43(61)48(4,5)33-69-70(66,67)68-32-38(50-6)34(2)56/h11-12,14-15,35-39,42-43,50,57-58,61H,7-10,13,16-33,49H2,1-6H3,(H,51,59)(H,52,63)(H,53,60)(H,54,62)(H,66,67)/b12-11-,15-14-/t35-,36-,37?,38+,39+,42+,43+/m1/s1/i2+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:24][C:41](=[N:53][CH:37]([CH2:23][CH2:22][CH2:26][NH2:49])[C:44](=[N:54][C@@H:42]([C@@H:35]([CH3:3])[OH:57])[C:46]([N:55]1[CH2:31][C@H:36]([OH:58])[CH2:30][C@H:39]1[C:47](=[O:65])[S:71][CH2:29][CH2:28][N:51]=[C:40]([CH2:25][CH2:27][N:52]=[C:45]([C@@H:43]([C:48]([CH3:4])([CH3:5])[CH2:33][O:69][P:70]([OH:66])(=[O:67])[O:68][CH2:32][C@@H:38]([C:34]([13CH3:2])=[O:56])[NH:50][13CH3:6])[OH:61])[OH:63])[OH:59])=[O:64])[OH:62])[OH:60]

Parent-child relations graph

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