CHEBI:93775 - 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid

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ChEBI Name 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
ChEBI ID CHEBI:93775
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H22N8O5
Net Charge 0
Average Mass 454.440
Monoisotopic Mass 454.171
InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
InChIKey FBOZXECLQNJBKD-UHFFFAOYSA-N
SMILES CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
ChEBI Ontology
Outgoing 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid (CHEBI:93775) is a folic acids (CHEBI:37445)
Manual Xref Database
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