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CHEBI:85811 - (6S)-5,6,7,8-tetrahydropteroic acid

ChEBI IDCHEBI:85811
ChEBI Name(6S)-5,6,7,8-tetrahydropteroic acid
Stars
ASCII Name(6S)-5,6,7,8-tetrahydropteroic acid
DefinitionA pteroic acid derivative arising from formal hydrogenation of the 5,6- and 7,8-double bonds of pteroic acid.
Last Modified21 May 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H16N6O3
Net Charge0
Average Mass316.321
Monoisotopic Mass316.12839
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)/t9-/m0/s1
InChIKeyOXIZGFYJYJOABB-VIFPVBQESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(6S)-5,6,7,8-tetrahydropteroic acid (CHEBI:85811) is a pteroic acids (CHEBI:38795)
(6S)-5,6,7,8-tetrahydropteroic acid (CHEBI:85811) is conjugate acid of (6S)-5,6,7,8-tetrahydropteroate (CHEBI:85414)
Incoming Relation(s)
(6S)-5,6,7,8-tetrahydropteroate (CHEBI:85414) is conjugate base of (6S)-5,6,7,8-tetrahydropteroic acid (CHEBI:85811)
IUPAC Name 
4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
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