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

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7,8-dihydromonapterin 3'-triphosphate

	Properties	Image
MNX_ID	MNXM1371934
reference	chebi:61186
formula	C₉H₁₂N₅O₁₃P₃
global charge	-4
mol weight	491.139
InChIKey	DGGUVLXVLHAAGT-NJGYIYPDSA-J
InChI	InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/p-4/t4-,6-/m0/s1
SMILES	NC1=NC2=C(N=C([C@H](O)[C@@H](O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])CN2)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6-/m0/s1
SMILES (mnx)	[CH2:1]1[C:3]([C@@H:6]([C@H:4]([CH2:2][O:25][P:29]([OH:21])(=[O:22])[O:27][P:30]([OH:23])(=[O:24])[O:26][P:28]([OH:18])([OH:19])=[O:20])[OH:15])[OH:16])=[N:12][C:5]2=[C:7]([NH:11]1)[NH:13][C:9](=[NH:10])[N:14]=[C:8]2[OH:17]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61186 chebi:61186 DGGUVLXVLHAAGT-NJGYIYPDSA-J	7,8-dihydromonapterin 3'-triphosphate (2S,3S)-3-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropyl triphosphate 6-(L-threo-1',2',3'-trihydroxypropyl)-7,8-dihydropterin-3'-triphosphate 7,8-dihydromonapterin 3-triphosphate(4-)
sabiork.compound:32050 sabiorkM:32050 kegg.compound:C21094 keggC:C21094 DGGUVLXVLHAAGT-NJGYIYPDSA-J DGGUVLXVLHAAGT-NJGYIYPDSA-N	7,8-Dihydromonapterin 3'-triphosphate
CHEBI:61191 chebi:61191 DGGUVLXVLHAAGT-NJGYIYPDSA-N	7,8-dihydromonapterin 3-triphosphate (2S,3S)-3-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropyl tetrahydrogen triphosphate
metacyc.compound:DIHYDROMONAPTERIN-TRIPHOSPHATE metacycM:DIHYDROMONAPTERIN-TRIPHOSPHATE DGGUVLXVLHAAGT-NJGYIYPDSA-J	7,8-dihydromonapterin triphosphate 6-(L-threo-1',2',3'-trihydroxypropyl)-7,8-dihydropterin-3'-triphosphate D-threo-7,8-dihydroneopterin triphosphate H2MTP dihydromonapterin-triphosphate
bigg.metabolite:dhmptp biggM:dhmptp DGGUVLXVLHAAGT-UHFFFAOYSA-J	Dihydromonapterin-triphosphate
CHEBI:193162 chebi:193162 DGGUVLXVLHAAGT-UHFFFAOYSA-N	H2NTP
biggM:M_dhmptp keggC:M_C21094	secondary/obsolete/fantasy identifier