CHEBI:64553 - tatiopterin(5−)

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ChEBI Name tatiopterin(5−)
ChEBI ID CHEBI:64553
ChEBI ASCII Name tatiopterin(5-)
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H46N8O22P
Net Charge -5
Average Mass 997.78600
Monoisotopic Mass 997.24917
InChI InChI=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
InChIKey QZUKXTYVYRNLDR-VVSJFISNSA-I
SMILES C[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)c1c[nH]c2nc(N)nc(=O)c2n1
ChEBI Ontology
Outgoing 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 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 Waiting for Citations Types Sources
1910453 PubMed citation Europe PMC
2624671 PubMed citation Europe PMC
Last Modified
10 May 2012