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CHEBI:191174 - Pteroyl-D-glutamic acid

ChEBI IDCHEBI:191174
ChEBI NamePteroyl-D-glutamic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23N7O7
Net Charge0
Average Mass473.446
Monoisotopic Mass473.16590
SMILESNc1nc2c(c(=O)n1)N(C=O)C(CNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1)CN2
InChIInChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m1/s1
InChIKeyVVIAGPKUTFNRDU-ZGTCLIOFSA-N
Species of MetaboliteComponentSourceComments
Fragaria x ananassa (ncbitaxon:3747) fruit (BTO:0000486) MetaboLights (MTBLS4380)
Malus domestica (ncbitaxon:3750) fruit (BTO:0000486) MetaboLights (MTBLS4380)
ChEBI Ontology
Outgoing Relation(s)
Pteroyl-D-glutamic acid (CHEBI:191174) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
(2R)-2-[[4-[(2-amino-5-ormyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Manual XrefsDatabases
49292ChemSpider
HMDB0002140HMDB
Registry NumbersSources
CAS:54353-24-1ChemIDplus