(8S)-3,7,9,13-tetrahydroxy-8-methylpentadec-4-enoyl-[SpnD polyketide synthase]

Properties Image MNX_ID MNXM1562614 reference metacycM:3-7-9-13-Tetrahydroxy-8-methylpentadec-4-enoyl-SpnD formula C30H53N3O13PS*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)/C=C/CC(O)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C32H60N3O13PS/c1-7-23(37)10-8-12-26(39)21(2)27(40)13-9-11-24(38)18-29(42)50-17-16-34-28(41)14-15-35-31(44)30(43)32(4,5)20-48-49(45,46)47-19-25(33-6)22(3)36/h9,11,21,23-27,30,33,37-40,43H,7-8,10,12-20H2,1-6H3,(H,34,41)(H,35,44)(H,45,46)/b11-9+/t21-,23?,24?,25-,26?,27?,30-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH:23]([CH2:10][CH2:8][CH2:12][CH:26]([C@H:21]([CH3:2])[CH:27]([CH2:13]/[CH:9]=[CH:11]/[CH:24]([CH2:18][C:29](=[O:42])[S:50][CH2:17][CH2:16][N:34]=[C:28]([CH2:14][CH2:15][N:35]=[C:31]([C@@H:30]([C:32]([CH3:4])([CH3:5])[CH2:20][O:48][P:49]([OH:45])(=[O:46])[O:47][CH2:19][C@@H:25]([C:22]([13CH3:3])=[O:36])[NH:33][13CH3:6])[OH:43])[OH:44])[OH:41])[OH:38])[OH:40])[OH:39])[OH:37]

Parent-child relations graph

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