**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

3-hydroxyoctadeca-4,10-dienoyl-[SphB polyketide synthase]

Properties Image MNX_ID MNXM1563186 reference metacycM:intermediate-PhcB-PKS formula C32H55N3O10PS*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)/C=C/CCCC/C=C/CCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C34H62N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(39)24-31(41)49-23-22-36-30(40)20-21-37-33(43)32(42)34(3,4)26-47-48(44,45)46-25-29(35-5)27(2)38/h12-13,18-19,28-29,32,35,39,42H,6-11,14-17,20-26H2,1-5H3,(H,36,40)(H,37,43)(H,44,45)/b13-12+,19-18+/t28-,29-,32-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:4][13CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]/[CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]/[C@@H:27]([CH2:22][C:29](=[O:39])[O:47][CH2:21][CH2:20][CH2:34][C:28]([CH2:18][CH2:19][NH:35][C:31]([C@H:30]([C:32]([13CH3:2])([CH3:3])[CH2:25][O:45][O:46]([OH:42])(=[O:43])[O:44][CH2:24][CH:26]([C:23](=[NH:36])[PH2:48])[CH2:33][SH:49])[OH:40])=[O:41])=[O:38])[NH2:37]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:intermediate-PhcB-PKS metacycM:intermediate-PhcB-PKS	3-hydroxyoctadeca-4,10-dienoyl-[SphB polyketide synthase]