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

(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][CH2:5][CH:22]([CH2:8][13CH2:6][CH2:10][CH:24]([C@@H:20]([CH3:2])[CH:25]([CH2:11]/[CH:7]=[CH:9]\[CH:23]([CH2:16][C:27](=[O:40])[O:48][CH2:15][CH2:14][CH2:32][C:26]([CH2:12][CH2:13][NH:33][C:29]([C@H:28]([C:30]([13CH3:3])([CH3:4])[CH2:19][O:46][O:47]([OH:43])(=[O:44])[O:45][CH2:18][C@@H:21]([C:17](=[NH:34])[PH2:49])[CH2:31][SH:50])[OH:41])=[O:42])=[O:39])[OH:36])[OH:38])[OH:37])[NH2:35]

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