CHEBI:192444 - N-alpha-(4-amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine

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 N-alpha-(4-amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine
ChEBI ID CHEBI:192444
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H36N10O5S
Net Charge 0
Average Mass 672.770
Monoisotopic Mass 672.25909
InChI InChI=1S/C32H36N10O5S/c1-41(2)25-10-4-8-23-22(25)7-5-11-26(23)48(46,47)36-16-6-9-24(31(44)45)38-30(43)19-12-14-21(15-13-19)42(3)18-20-17-35-29-27(37-20)28(33)39-32(34)40-29/h4-5,7-8,10-15,17,24,36H,6,9,16,18H2,1-3H3,(H,38,43)(H,44,45)(H4,33,34,35,39,40)/t24-/m0/s1
InChIKey SJVMDYMKTVEZEE-DEOSSOPVSA-N
SMILES S(=O)(=O)(NCCC[C@H](NC(=O)C1=CC=C(N(CC=2N=C3C(=NC2)N=C(N=C3N)N)C)C=C1)C(O)=O)C=4C5=C(C(N(C)C)=CC=C5)C=CC4
Metabolite of Species Details
Pinus radiata (NCBI:txid3347) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing N-alpha-(4-amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine (CHEBI:192444) is a naphthalenes (CHEBI:25477)
N-alpha-(4-amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine (CHEBI:192444) is a sulfonic acid derivative (CHEBI:33552)
IUPAC Name
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulonylamino]pentanoic acid
Manual Xref Database
118460 ChemSpider
View more database links
Registry Number Type Source
83966-27-2 CAS Registry Number ChemIDplus