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Substance Name: Tatiopterin
RN: 126026-65-1
InChIKey: QZUKXTYVYRNLDR-ZTZXGBDYSA-N

Note

  • From Methanogenium tationis; carrier of C1 compounds in methanogenesis.

Molecular Weight

  • 1002.8289
 
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Names and Synonyms

Name of Substance

  • Tatiopterin

Systematic Name

  • Tatiopterin

Registry Numbers

CAS Registry Number

  • 126026-65-1

Other Registry Number

  • 125794-90-3

System Generated Number

  • 0126026651

Structure Descriptors

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?/m0/s1

InChIKey

QZUKXTYVYRNLDR-ZTZXGBDYSA-N

Smiles

CC(c1c[nH]c-2nc(nc(=O)c2n1)N)Nc3ccc(cc3)CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)O)O)O)O