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

Feedback

7,8-dihydroneopterin 2'-phosphate

MNXM10399 is deprecated and here replaced by MNXM1363491
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1363491
reference	chebi:72777
formula	C₉H₁₂N₅O₇P
global charge	-2
mol weight	333.197
InChIKey	FBQANDYMCCZFCT-XINAWCOVSA-L
InChI	InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(2-15)21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/p-2/t4-,6+/m1/s1
SMILES	NC1=NC2=C(N=C([C@H](O)[C@@H](CO)OP(=O)([O-])[O-])CN2)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(2-15)21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1
SMILES (mnx)	[CH2:1]1[C:3]([C@@H:6]([C@@H:4]([CH2:2][OH:15])[O:21][P:22]([OH:18])([OH:19])=[O:20])[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)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72777 chebi:72777 FBQANDYMCCZFCT-XINAWCOVSA-L	7,8-dihydroneopterin 2'-phosphate (1S,2R)-1-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-1,3-dihydroxypropan-2-yl phosphate 7,8-dihydro-D-neopterin 2'-monophosphate(2-) 7,8-dihydro-D-neopterin 2'-phosphate(2-) 7,8-dihydroneopterin 2'-monophosphate(2-) 7,8-dihydroneopterin 2'-phosphate(2-)
kegg.compound:C20566 keggC:C20566 FBQANDYMCCZFCT-XINAWCOVSA-N	7,8-Dihydroneopterin 2'-phosphate
CHEBI:72784 chebi:72784 FBQANDYMCCZFCT-XINAWCOVSA-N	7,8-dihydroneopterin 2'-phosphate (1S,2R)-1-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-1,3-dihydroxypropan-2-yl dihydrogen phosphate 7,8-dihydro-D-neopterin 2'-monophosphate 7,8-dihydro-D-neopterin 2'-phosphate 7,8-dihydroneopterin 2'-monophosphate
metacyc.compound:CPD-13344 metacycM:CPD-13344 FBQANDYMCCZFCT-XINAWCOVSA-L	7,8-dihydroneopterin 2'-phosphate 7,8-dihydro-D-neopterin 2'-phosphate dihydroneopterin 2'-monophosphate dihydroneopterin 2'-phosphate
keggC:M_C20566	secondary/obsolete/fantasy identifier