CHEBI:182497 - (2S,3S,6R)-3-[[3-Amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S,3S,6R)-3-[[3-Amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
ChEBI ID CHEBI:182497
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26N8O5
Net Charge 0
Average Mass 422.446
Monoisotopic Mass 422.20262
InChI InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9?,10-,13+,14-/m0/s1
InChIKey CXNPLSGKWMLZPZ-LBLJTAPMSA-N
SMILES O1[C@@H]([C@@H](NC(=O)CC(N)CCN(C)C(N)=N)C=C[C@@H]1N2C=CC(=NC2=O)N)C(O)=O
ChEBI Ontology
Outgoing (2S,3S,6R)-3-[[3-Amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid (CHEBI:182497) has functional parent β-amino acid (CHEBI:33706)
(2S,3S,6R)-3-[[3-Amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid (CHEBI:182497) is a organonitrogen compound (CHEBI:35352)
(2S,3S,6R)-3-[[3-Amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid (CHEBI:182497) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2S,3S,6R)-3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Manual Xrefs Databases
388699 ChemSpider
C02010 KEGG COMPOUND
View more database links