MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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fostriecin

	Properties	Image
MNX_ID	MNXM1128557
reference	chebi:167004
formula	C₁₉H₂₇O₉P
global charge	0
mol weight	430.39
InChIKey	ZMQRJWIYMXZORG-DSWNLJKISA-N
InChI	InChI=1S/C19H27O9P/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20/h2-8,10-12,15-17,20-21,23H,9,13-14H2,1H3,(H2,24,25,26)/b3-2-,6-4+,8-5-,12-11+/t15-,16+,17+,19+/m0/s1
SMILES	C[C@@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)(O)O

MNX internals

InChI (mnx)	InChI=1/C19H27O9P/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20/h2-8,10-12,15-17,20-21,23H,9,13-14H2,1H3,(H2,24,25,26)/b3-2-,6-4+,8-5-,12-11+/t15-,16+,17+,19+/m0/s1
SMILES (mnx)	[CH3:1][C@@:19](/[CH:12]=[CH:11]/[C@H:16]1[CH2:9][CH:7]=[CH:10][C:18](=[O:22])[O:27]1)([C@@H:17]([CH2:14][C@H:15](/[CH:8]=[CH:5]\[CH:3]=[CH:2]/[CH:4]=[CH:6]/[CH2:13][OH:20])[OH:21])[O:28][P:29]([OH:24])([OH:25])=[O:26])[OH:23]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:167004 chebi:167004 ZMQRJWIYMXZORG-DSWNLJKISA-N	fostriecin (+)-fostriecin (1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]trideca-1,7,9,11-tetraen-4-yl dihydrogen phosphate (6R)-5,6-dihydro-6-[(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraenyl]-2H-pyran-2-one CI 920 CI-920 CL 1565A CL-1565A PD 110,161 PD 110161 PD-110,161 antibiotic CI 920 antibiotic CL 1565A fostriecina fostriecine fostriecinum phosphotrienin