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

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D-erythro-neopterin

	Properties	Image
MNX_ID	MNXM737038
reference	chebi:49771
formula	C₉H₁₁N₅O₄
global charge	0
mol weight	253.218
InChIKey	BMQYVXCPAOLZOK-XINAWCOVSA-N
InChI	InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
SMILES	NC1=NC2=NC=C([C@H](O)[C@H](O)CO)N=C2C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
SMILES (mnx)	[CH:1]1=[C:3]([C@@H:6]([C@@H:4]([CH2:2][OH:15])[OH:16])[OH:17])[N:12]=[C:5]2[C:7](=[N:11]1)[NH:13][C:9](=[NH:10])[N:14]=[C:8]2[OH:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49771 chebi:49771 BMQYVXCPAOLZOK-XINAWCOVSA-N	D-erythro-neopterin 2-amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-4(8H)-pteridone 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4(3H)-pteridinone 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one 6-(D-erythro-1,2,3-trihydroxypropyl)pterin 6-D-erythro-neopterin D-(+)-neopterin D-neopterin
metacyc.compound:CPD-15305 metacycM:CPD-15305 BMQYVXCPAOLZOK-XINAWCOVSA-N	D-erythro-neopterin (D-erythro-1,2,3-trihydroxypropyl)-pterin
seed.compound:cpd03522 seedM:cpd03522 BMQYVXCPAOLZOK-XINAWCOVSA-N	Neopterin (D-erythro-1,2,3-trihydroxypropyl)-pterin 6-(D-erythro-1,2,3-Trihydroxypropyl)pterin 6-D-erythro-Neopterin D-Neopterin D-erythro-Neopterin [S-(R,S)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on [S-(R,S)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one [S-(R,S)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one neopterin
kegg.compound:C05926 keggC:C05926 BMQYVXCPAOLZOK-XINAWCOVSA-N	Neopterin 6-(D-erythro-1,2,3-Trihydroxypropyl)pterin 6-D-erythro-Neopterin D-Neopterin D-erythro-Neopterin [S-(R,S)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on [S-(R,S)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one [S-(R,S)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one
sabiork.compound:8273 sabiorkM:8273 BMQYVXCPAOLZOK-XINAWCOVSA-N	Neopterin 6-(D-erythro-1,2,3-Trihydroxypropyl)pterin 6-D-erythro-Neopterin D-Neopterin D-erythro-Neopterin [S-(R,S)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on [S-(R,S)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one [S-(R,S)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one
keggC:M_C05926 seedM:M_cpd03522	secondary/obsolete/fantasy identifier