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CHEBI:85414 - (6S)-5,6,7,8-tetrahydropteroate

ChEBI IDCHEBI:85414
ChEBI Name(6S)-5,6,7,8-tetrahydropteroate
Stars
ASCII Name(6S)-5,6,7,8-tetrahydropteroate
DefinitionA pteroate that is the conjugate base of (6S)-5,6,7,8-tetrahydropteroic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified21 May 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H15N6O3
Net Charge-1
Average Mass315.313
Monoisotopic Mass315.12111
SMILESNc1nc2c(c(=O)n1)N[C@@H](CNc1ccc(C(=O)[O-])cc1)CN2
InChIInChI=1S/C14H16N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,9,16,18H,5-6H2,(H,22,23)(H4,15,17,19,20,21)/p-1/t9-/m0/s1
InChIKeyOXIZGFYJYJOABB-VIFPVBQESA-M
ChEBI Ontology
Outgoing Relation(s)
(6S)-5,6,7,8-tetrahydropteroate (CHEBI:85414) is a pteroates (CHEBI:38796)
(6S)-5,6,7,8-tetrahydropteroate (CHEBI:85414) is conjugate base of (6S)-5,6,7,8-tetrahydropteroic acid (CHEBI:85811)
Incoming Relation(s)
(6S)-5,6,7,8-tetrahydropteroic acid (CHEBI:85811) is conjugate acid of (6S)-5,6,7,8-tetrahydropteroate (CHEBI:85414)
IUPAC Name 
4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoate
UniProt Name  Source
(6S)-5,6,7,8-tetrahydropteroateUniProt
Manual XrefsDatabases
CPD-9020MetaCyc
Citations