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CHEBI:28155 - 2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,7-dihydropteridin-4-one

ChEBI IDCHEBI:28155
ChEBI Name2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,7-dihydropteridin-4-one
Stars
DefinitionA member of the class of tetrahydropterins that is 2-amino-6-(1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydropteridin-4-one carrying four additional hydroxy substituents at positions 5, 6, 7 and 8.
Secondary ChEBI IDsCHEBI:1004, CHEBI:19458, CHEBI:134696
Last Modified14 August 2017
SubmitterKeeva
DownloadsMolfile
FormulaC9H15N5O8
Net Charge0
Average Mass321.246
Monoisotopic Mass321.09206
SMILESNc1nc2c(c(=O)n1)N(O)C(O)(C(O)C(O)CO)C(O)N2O
InChIInChI=1S/C9H15N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2,4,7,15-17,19-22H,1H2,(H3,10,11,12,18)
InChIKeyXWORXFNMQCQKKK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Apis cerana (ncbitaxon:7461) - MetaboLights (MTBLS379)
ChEBI Ontology
Outgoing Relation(s)
2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,7-dihydropteridin-4-one (CHEBI:28155) is a neopterins (CHEBI:25500)
2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,7-dihydropteridin-4-one (CHEBI:28155) is a tetrahydropterin (CHEBI:30436)
IUPAC Name 
2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydropteridin-4(1H)-one
Synonyms  Source
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-Tri-hydroxypropyl)-5,6,7,8-tetrahydroxypterinKEGG COMPOUND
2-amino-4-oxo-3,4,5,6,7,8-hexahydro-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypteridineChEBI
2-Amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydro-4(1H)-pteridinoneChEBI
2-amino-4-oxo-4-α-hydroxy-6-(1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterinChEBI
Manual XrefsDatabases
C05252KEGG COMPOUND
389495ChemSpider
HMDB0012143HMDB