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CHEBI:64553 - tatiopterin(5−)

ChEBI IDCHEBI:64553
ChEBI Nametatiopterin(5−)
Stars
ASCII Nametatiopterin(5-)
DefinitionThe organophosphate oxoanion and tetracarboxylic acid anion formed from tatiopterin by loss of a proton from the phospho group and from each of the four carboxy groups; major microspecies present at pH 7.3.
Last Modified10 May 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H46N8O22P
Net Charge-5
Average Mass997.794
Monoisotopic Mass997.24917
SMILESC[C@@H](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)N[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](O)[C@H]2O)cc1)c1cnc2nc(N)nc(=O)c-2n1
InChIInChI=1S/C38H51N8O22P/c1-15(20-12-40-32-28(42-20)35(60)46-38(39)45-32)41-17-4-2-16(3-5-17)10-21(47)29(55)22(48)13-65-37-31(57)30(56)24(67-37)14-66-69(63,64)68-23(7-9-26(51)52)34(59)43-18(6-8-25(49)50)33(58)44-19(36(61)62)11-27(53)54/h2-5,12,15,18-19,21-24,29-31,37,41,47-48,55-57H,6-11,13-14H2,1H3,(H,43,59)(H,44,58)(H,49,50)(H,51,52)(H,53,54)(H,61,62)(H,63,64)(H3,39,40,45,46,60)/p-5/t15-,18+,19+,21+,22-,23+,24-,29+,30-,31-,37+/m1/s1
InChIKeyQZUKXTYVYRNLDR-VVSJFISNSA-I
ChEBI Ontology
Outgoing Relation(s)
tatiopterin(5−) (CHEBI:64553) is a organophosphate oxoanion (CHEBI:58945)
tatiopterin(5−) (CHEBI:64553) is a tetracarboxylic acid anion (CHEBI:35754)
tatiopterin(5−) (CHEBI:64553) is conjugate base of tatiopterin (CHEBI:64494)
Incoming Relation(s)
tatiopterin (CHEBI:64494) is conjugate acid of tatiopterin(5−) (CHEBI:64553)
IUPAC Name 
(2S)-2-{[(5S,8S)-1-[(2R,3S,4R,5S)-5-{[(2R,3S,4S)-5-(4-{[(1R)-1-(2-amino-4-oxo-4,8-dihydropteridin-6-yl)ethyl]amino}phenyl)-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxytetrahydrofuran-2-yl]-5,8-bis(2-carboxylatoethyl)-3,3-dioxido-6,9-dioxo-2,4-dioxa-7-aza-3λ5-phosphanonan-9-yl]amino}succinate
Citations