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

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actinocin

	Properties	Image
MNX_ID	MNXM166878
reference	metacycM:CPD-18447
formula	C₁₆H₁₀N₂O₆
global charge	-2
mol weight	326.264
InChIKey	KXRMREPJUITWDU-UHFFFAOYSA-L
InChI	InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23)/p-2
SMILES	CC1=CC=C(C(=O)[O-])C2=C1OC1=C(C)C(=O)C(N)=C(C(=O)[O-])C1=N2

MNX internals

InChI (mnx)	InChI=1/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23)
SMILES (mnx)	[CH3:1][C:5]1=[C:13]2[C:10](=[C:7]([C:15](=[O:20])[OH:21])[CH:4]=[CH:3]1)[N:18]=[C:11]1[C:8]([C:16](=[O:22])[OH:23])=[C:9]([NH2:17])[C:12](=[O:19])[C:6]([CH3:2])=[C:14]1[O:24]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-18447 metacycM:CPD-18447 KXRMREPJUITWDU-UHFFFAOYSA-L	actinocin 2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxylate
seed.compound:cpd31742 seedM:cpd31742 KXRMREPJUITWDU-UHFFFAOYSA-L	2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxylate actinocin
seedM:M_cpd31742	secondary/obsolete/fantasy identifier