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

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albonoursin

MNXM97202 is deprecated and replaced by MNXM1100311

	Properties	Image
MNX_ID	MNXM1100311
reference	chebi:71609
formula	C₁₅H₁₆N₂O₂
global charge	0
mol weight	256.305
InChIKey	LCIIOYPBHIZBOD-JMVBYTIWSA-N
InChI	InChI=1S/C15H16N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)(H,17,18)/b12-8-,13-9-
SMILES	CC(C)/C=C1\NC(=O)/C(=C/C2=CC=CC=C2)NC1=O

MNX internals

InChI (mnx)	InChI=1/C15H16N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)(H,17,18)/b12-8-,13-9-
SMILES (mnx)	[CH3:1][CH:10]([CH3:2])/[CH:8]=[C:12]1/[C:14]([OH:18])=[N:17]/[C:13](=[CH:9]\[C:11]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)[C:15]([OH:19])=[N:16]1

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
CHEBI:71609 chebi:71609 LCIIOYPBHIZBOD-JMVBYTIWSA-N	albonoursin (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione 3-Benzylidene-6-isobutylidene-2,5-dioxopiperazine cyclo(DeltaLeu-DeltaPhe) cyclo(DeltaPhe-DeltaLeu) cyclo(dehydroleucyl-dehydrophenylalanyl) cyclo(dehydrophenylalanyl-dehydroleucyl)
kegg.compound:C20520 keggC:C20520 LCIIOYPBHIZBOD-JMVBYTIWSA-N	Albonoursin (3Z,6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione
seed.compound:cpd31163 seedM:cpd31163 LCIIOYPBHIZBOD-JMVBYTIWSA-O	Albonoursin (3Z,6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione albonoursin cyclo(dehydroleucyl-dehydrophenylalanyl) cyclo(dehydrophenylalanyl-dehydroleucyl)
metacyc.compound:CPD-15208 metacycM:CPD-15208 LCIIOYPBHIZBOD-JMVBYTIWSA-N	albonoursin cyclo(dehydroleucyl-dehydrophenylalanyl) cyclo(dehydrophenylalanyl-dehydroleucyl)
keggC:M_C20520 seedM:M_cpd31163	secondary/obsolete/fantasy identifier