EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64514 - sarcinapterin(4−)

ChEBI IDCHEBI:64514
ChEBI Namesarcinapterin(4−)
Stars
ASCII Namesarcinapterin(4-)
DefinitionThe organophosphate oxoanion and tricarboxylic acid trianion formed from sarcinapterin by loss of a proton from the phospho group and from each of the three carboxy groups; major microspecies present at pH 7.3.
Last Modified4 May 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC35H44N7O19P
Net Charge-4
Average Mass897.741
Monoisotopic Mass897.24515
SMILESCc1nc2nc(N)nc(=O)c-2nc1[C@@H](C)Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C35H48N7O19P/c1-14(25-15(2)38-30-26(40-25)32(53)42-35(36)41-30)37-17-5-3-16(4-6-17)11-19(43)27(49)20(44)12-58-34-29(51)28(50)22(60-34)13-59-62(56,57)61-21(8-10-24(47)48)31(52)39-18(33(54)55)7-9-23(45)46/h3-6,14,18-22,27-29,34,37,43-44,49-51H,7-13H2,1-2H3,(H,39,52)(H,45,46)(H,47,48)(H,54,55)(H,56,57)(H3,36,38,41,42,53)/p-4/t14-,18+,19+,20-,21+,22-,27+,28-,29-,34+/m1/s1
InChIKeyZZZXRXDSTUEPEK-VBKPQRTLSA-J
ChEBI Ontology
Outgoing Relation(s)
sarcinapterin(4−) (CHEBI:64514) is a organophosphate oxoanion (CHEBI:58945)
sarcinapterin(4−) (CHEBI:64514) is a tricarboxylic acid trianion (CHEBI:27092)
sarcinapterin(4−) (CHEBI:64514) is conjugate base of sarcinapterin (CHEBI:64493)
Incoming Relation(s)
sarcinapterin (CHEBI:64493) is conjugate acid of sarcinapterin(4−) (CHEBI:64514)
IUPAC Name 
1-(4-{[(1R)-1-(2-amino-7-methyl-4-oxo-4,8-dihydropteridin-6-yl)ethyl]amino}phenyl)-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxobutan-2-yl]oxy}phosphinato)-α-D-ribofuranosyl]-1-deoxy-D-ribitol
Manual XrefsDatabases
CPD-10764MetaCyc
Citations