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CHEBI:197369 - Pteropterin

Default Structure
ChEBI IDCHEBI:197369
ChEBI NamePteropterin
Stars
DefinitionPteropterin is a crystalline conjugate of folic acid, having general properties of a polypeptide. Pteropterin differs from folic acid in that it consists of three molecules of glutamic acid instead of one.
Submitterntejera
DownloadsMolfile
FormulaC29H33N9O12
Net Charge0
Average Mass699.634
Monoisotopic Mass699.22487
SMILESNc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2n1
InChIInChI=1S/C29H33N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44)
InChIKeyWOLQREOUPKZMEX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS7872)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS7872)
ChEBI Ontology
Outgoing Relation(s)
Pteropterin (CHEBI:197369) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2S)-2-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
Synonym  Source
Pteroyltriglutamic acidSUBMITTER