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

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coformycin

	Properties	Image
MNX_ID	MNXM3950
reference	chebi:57682
formula	C₁₁H₁₇N₄O₅
global charge	1
mol weight	285.28
InChIKey	YOOVTUPUBVHMPG-LODYRLCVSA-O
InChI	InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/p+1/t5-,6-,8-,9-,11-/m1/s1
SMILES	OC[C@H]1O[C@@H](N2C=NC3=C2[NH+]=CNC[C@H]3O)[C@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
SMILES (mnx)	[CH2:1]1[C@@H:5]([OH:17])[C:7]2=[C:10]([NH:13][CH:3]=[N:12]1)[N:15]([C@H:11]1[C@H:9]([OH:19])[C@H:8]([OH:18])[C@@H:6]([CH2:2][OH:16])[O:20]1)[CH:4]=[N:14]2

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:57682 chebi:57682 YOOVTUPUBVHMPG-LODYRLCVSA-O	coformycin (8R)-8-hydroxy-3-(beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-4-ium coformycin cation coformycin(1+)
kegg.compound:C01677 keggC:C01677 YOOVTUPUBVHMPG-LODYRLCVSA-N	Coformycin
seed.compound:cpd01159 seedM:cpd01159 YOOVTUPUBVHMPG-LODYRLCVSA-N	Coformycin coformycin
metacyc.compound:COFORMYCIN metacycM:COFORMYCIN YOOVTUPUBVHMPG-LODYRLCVSA-O	coformycin
CHEBI:16213 chebi:16213 YOOVTUPUBVHMPG-LODYRLCVSA-N	coformycin (8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol (R)-3,4,7,8-Tetrahydro-3-beta-D-ribofuranosylimidazo(4,5-d)(1,3)diazepin-8-ol Coformycin
chebi:14013 chebi:23358 chebi:3810 keggC:M_C01677 seedM:M_cpd01159	secondary/obsolete/fantasy identifier