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

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LSM-3027

	Properties	Image
MNX_ID	MNXM529359
reference	chebi:92814
formula	C₂₀H₁₉N₇O₂
global charge	0
mol weight	389.419
InChIKey	AEULVFLPCJOBCE-UHFFFAOYSA-N
InChI	InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
SMILES	COC1=CC=C(CCCN2N=CC3=C2N=C(N)N2N=C(C4=CC=CO4)N=C32)C=C1

MNX internals

InChI (mnx)	InChI=1/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
SMILES (mnx)	[CH3:1][O:28][C:14]1=[CH:9][CH:7]=[C:13]([CH2:4][CH2:2][CH2:10][N:26]2[C:18]3=[C:15]([CH:12]=[N:22]2)[C:19]2=[N:23][C:17]([C:16]4=[CH:5][CH:3]=[CH:11][O:29]4)=[N:25][N:27]2[C:20](=[NH:21])[NH:24]3)[CH:6]=[CH:8]1

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:92814 chebi:92814 AEULVFLPCJOBCE-UHFFFAOYSA-N	LSM-3027
hmdb:HMDB0246146 AEULVFLPCJOBCE-UHFFFAOYSA-N	2-(Furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine 4-(furan-2-yl)-10-[3-(4-methoxyphenyl)propyl]-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine 5-Amino-7-(3-(4-methoxyphenyl)propyl)-2-(2-furyl)pyrazolo(4,3-e)-1,2,4-triazolo(1,5-c)pyrimidine