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

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formycin B

	Properties	Image
MNX_ID	MNXM737904
reference	chebi:42654
formula	C₁₀H₁₂N₄O₅
global charge	0
mol weight	268.229
InChIKey	MTCJZZBQNCXKAP-KSYZLYKTSA-N
InChI	InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1
SMILES	O=C1N=CNC2=C1NN=C2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1
SMILES (mnx)	[CH2:1]([C@@H:3]1[C@@H:7]([OH:16])[C@@H:8]([OH:17])[C@H:9]([C:5]2=[C:4]3[C:6](=[N:14][NH:13]2)[C:10](=[O:18])[NH:12][CH:2]=[N:11]3)[O:19]1)[OH:15]

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:42654 chebi:42654 MTCJZZBQNCXKAP-KSYZLYKTSA-N	formycin B (1S)-1,4-anhydro-1-(7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol FORMYCIN B Laurusin Ohyamycin
sabiork.compound:27169 sabiorkM:27169 MTCJZZBQNCXKAP-KSYZLYKTSA-N	Formycin B