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

(16S)-16-methyl-9,11,15,17,21-pentahydroxytricos-2,4,6,12-tetraenoyl-[SpnE polyketide synthase]

Properties Image MNX_ID MNXM1562587 reference metacycM:16-Methyl-pentahydroxytricos-2-4-6-12-tetraenoyl-SpnE formula C38H63N3O14PS*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/C=C/C=C/CC(O)CC(O)/C=C/CC(O)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C40H70N3O14PS/c1-7-30(45)16-13-18-34(48)28(2)35(49)19-14-17-32(47)25-31(46)15-11-9-8-10-12-20-37(51)59-24-23-42-36(50)21-22-43-39(53)38(52)40(4,5)27-57-58(54,55)56-26-33(41-6)29(3)44/h8-12,14,17,20,28,30-35,38,41,45-49,52H,7,13,15-16,18-19,21-27H2,1-6H3,(H,42,50)(H,43,53)(H,54,55)/b10-8+,11-9+,17-14+,20-12+/t28-,30?,31?,32?,33-,34?,35?,38-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:5][CH:29]([CH2:14][CH2:11][CH2:16][CH:32]([C@@H:27]([CH3:2])[CH:33]([CH2:17]/[CH:12]=[CH:15]\[CH:31]([CH2:23][CH:30]([CH2:13]/[CH:9]=[CH:7]\[13CH:6]=[CH:8]\[CH:10]=[CH:18]/[C:35](=[O:49])[O:57][CH2:22][CH2:21][CH2:40][C:34]([CH2:19][CH2:20][NH:41][C:37]([C@H:36]([C:38]([13CH3:3])([CH3:4])[CH2:26][O:55][O:56]([OH:52])(=[O:53])[O:54][CH2:25][C@@H:28]([C:24](=[NH:42])[PH2:58])[CH2:39][SH:59])[OH:50])=[O:51])=[O:48])[OH:44])[OH:45])[OH:47])[OH:46])[NH2:43]

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:16-Methyl-pentahydroxytricos-2-4-6-12-tetraenoyl-SpnE metacycM:16-Methyl-pentahydroxytricos-2-4-6-12-tetraenoyl-SpnE	(16S)-16-methyl-9,11,15,17,21-pentahydroxytricos-2,4,6,12-tetraenoyl-[SpnE polyketide synthase]