Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

(6E,11E,13S,15R,16R)-3-methylacetyl-5,13,15,16-tetrahydroxy-11-(2-methoxy-2-oxoethylidene)-8,8-dimethyl-9-oxoheptadec-2,6-dienoyl-[BryB polyketide synthase]

PropertiesImageOccurences in reactions
MNX_IDMNXM743753Image of MNXM743753
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC39H61N3O18PS*
charge 
mass 
referencemetacycM:3-MAc-Heptadec-2-dienoyl-BryB-PKS
InChIKey 
InChI 
SMILES[13CH3:1][C:25]([CH:31]([CH2:23][O:61][P:63]([OH:57])(=[O:58])[O:62][CH2:24][C:41]([CH3:5])([CH3:6])[CH:38]([C:39](=[N:44][CH2:13][CH2:11][C:34](=[N:43][CH2:14][CH2:15][S:64][C:37](/[CH:21]=[C:28](/[CH2:16][CH:29](/[CH:10]=[CH:12]/[C:40]([CH3:3])([CH3:4])[C:33]([CH2:18]/[C:27]([CH2:17][CH:30]([CH2:22][CH:32]([CH:26]([CH3:2])[OH:46])[OH:49])[OH:48])=[CH:19]/[C:35](=[O:52])[O:59][CH3:8])=[O:50])[OH:47])[CH2:20][C:36](=[O:53])[O:60][CH3:9])=[O:54])[OH:51])[OH:56])[OH:55])[NH:42][13CH3:7])=[O:45]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:3-MAc-Heptadec-2-dienoyl-BryB-PKS
metacycM:3-MAc-Heptadec-2-dienoyl-BryB-PKS 		(6E,11E,13S,15R,16R)-3-methylacetyl-5,13,15,16-tetrahydroxy-11-(2-methoxy-2-oxoethylidene)-8,8-dimethyl-9-oxoheptadec-2,6-dienoyl-[BryB polyketide synthase]