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

ChEBI IDCHEBI:192444
ChEBI NameN-alpha-(4-amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N10O5S
Net Charge0
Average Mass672.772
Monoisotopic Mass672.25909
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCC[C@H](NC(=O)c3ccc(N(C)Cc4cnc5nc(N)nc(N)c5n4)cc3)C(=O)O)cccc12
InChIInChI=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
InChIKeySJVMDYMKTVEZEE-DEOSSOPVSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
118460ChemSpider
Registry NumbersSources
CAS:83966-27-2ChemIDplus