CHEBI:64494 - tatiopterin

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ChEBI Name tatiopterin ChEBI ID CHEBI:64494 Definition A pterin derivative that is an aspartyl derivative of sarcinapterin with a 7-proton instead of a 7-methyl group in the methanopterin moiety. Stars This entity has been manually annotated by the ChEBI Team. Submitter Endang Purwantini Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C38H51N8O22P Net Charge 0 Average Mass 1002.82570 Monoisotopic Mass 1002.28555 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)/t15-,18+,19+,21+,22-,23+,24-,29+,30-,31-,37+/m1/s1 InChIKey QZUKXTYVYRNLDR-VVSJFISNSA-N 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 (CHEBI:64494) has functional parent sarcinapterin (CHEBI:64493) tatiopterin (CHEBI:64494) is a pterins (CHEBI:26375) tatiopterin (CHEBI:64494) is conjugate acid of tatiopterin(5−) (CHEBI:64553) Incoming tatiopterin(5−) (CHEBI:64553) is conjugate base of tatiopterin (CHEBI:64494) 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-carboxyethyl)-3-hydroxy-3-oxido-6,9-dioxo-2,4-dioxa-7-aza-3l5-phosphanonan-9-yl]amino}succinic acid Citations Types Sources 1910453 PubMed citation Europe PMC 2624671 PubMed citation Europe PMC Last Modified 10 May 2012