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CHEBI:64493 - sarcinapterin

ChEBI IDCHEBI:64493
ChEBI Namesarcinapterin
Stars
DefinitionA methanopterin derivative in which the methanopterin is modified by amide formation with L-glutamic acid.
Last Modified10 May 2012
Submitterepurwant
DownloadsMolfile
FormulaC35H48N7O19P
Net Charge0
Average Mass901.773
Monoisotopic Mass901.27426
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)/t14-,18+,19+,20-,21+,22-,27+,28-,29-,34+/m1/s1
InChIKeyZZZXRXDSTUEPEK-VBKPQRTLSA-N
ChEBI Ontology
Outgoing Relation(s)
sarcinapterin (CHEBI:64493) is a methanopterins (CHEBI:37669)
sarcinapterin (CHEBI:64493) is conjugate acid of sarcinapterin(4−) (CHEBI:64514)
Incoming Relation(s)
tatiopterin (CHEBI:64494) has functional parent sarcinapterin (CHEBI:64493)
sarcinapterin(4−) (CHEBI:64514) is conjugate base of sarcinapterin (CHEBI:64493)
IUPAC Name 
(2S)-2-{[(2S)-2-{[{[(2R,3S,4R,5S)-5-{[(2R,3S,4S)-5-(4-{[(1R)-1-(2-amino-7-methyl-4-oxo-4,8-dihydropteridin-6-yl)ethyl]amino}phenyl)-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-4-carboxybutanoyl]amino}pentanedioic acid
Registry NumbersSources
CAS:89157-12-0ChemIDplus
Citations