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

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7,8-dihydroneopterin 3'-phosphate

	Properties	Image
MNX_ID	MNXM1364433
reference	chebi:58762
formula	C₉H₁₂N₅O₇P
global charge	-2
mol weight	333.197
InChIKey	PLSQMGZYOGSOCE-XINAWCOVSA-L
InChI	InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(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](O)COP(=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(15)2-21-22(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][O:21][P:22]([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)	5
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58762 chebi:58762 PLSQMGZYOGSOCE-XINAWCOVSA-L	7,8-dihydroneopterin 3'-phosphate (2R,3S)-3-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropyl phosphate 7,8-dihydroneopterin 3'-phosphate(2-)
CHEBI:48954 chebi:48954 PLSQMGZYOGSOCE-XINAWCOVSA-N	7,8-dihydroneopterin 3'-phosphate (2R,3S)-3-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropyl dihydrogen phosphate 2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate Dihydroneopterin phosphate
metacyc.compound:DIHYDRONEOPTERIN-P metacycM:DIHYDRONEOPTERIN-P PLSQMGZYOGSOCE-XINAWCOVSA-L	7,8-dihydroneopterin 3'-phosphate 2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate 7,8-dihydro-D-neopterin 3'-phosphate dihydroneopterin 3'-monophosphate dihydroneopterin 3'-phosphate dihydroneopterin-P
hmdb:HMDB0006824 PLSQMGZYOGSOCE-XINAWCOVSA-N	Dihydroneopterin phosphate (2R,3S)-3-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)-2,3-dihydroxypropoxyphosphonic acid 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphoric acid 2-Amino-6-[(1S,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-7,8-dihydro-4(3H)-pteridinone 7,8-Dihydroneopterin 3'-phosphate 7,8-Dihydroneopterin 3'-phosphoric acid Dihydroneopterin phosphoric acid [(2R,3S)-3-(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropoxy]phosphonic acid
sabiork.compound:8272 sabiorkM:8272 PLSQMGZYOGSOCE-XINAWCOVSA-N	Dihydroneopterin phosphate 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridinephosphate
kegg.compound:C05925 keggC:C05925 PLSQMGZYOGSOCE-XINAWCOVSA-N	Dihydroneopterin phosphate 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate 7,8-Dihydroneopterin 3'-phosphate
hmdb:HMDB06824 chebi:23756 chebi:4577 keggC:M_C05925	secondary/obsolete/fantasy identifier