(Q27102741)

5,10-(methanylylidene)tetrahydromethanopterin (English)

19 October 2016

chemical formula

C₃₁H₄₄N₆O₁₆P⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1C2C(N(C=[N+]2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)CC(C(C(COC5C(C(C(O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C

1 reference

5,10-(methanylylidene)tetrahydromethanopterin (English)

19 October 2016

isomeric SMILES

C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C

1 reference

5,10-(methanylylidene)tetrahydromethanopterin (English)

InChI=1S/C31H43N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,12-14,17-20,22,24-26,30,38-39,42-44H,7-11H2,1-2H3,(H6-,32,33,34,35,40,41,45,46,47,48,49)/p+1/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

5,10-(methanylylidene)tetrahydromethanopterin (English)

RANKJVUGLXUXOL-CAFBYHECSA-O

19 October 2016

InChIKey

2 references

5,10-(methanylylidene)tetrahydromethanopterin (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-{4-[(6S,6aR,7R)-3-Amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-alpha-D-ribofuranosy (English)

19 October 2016

1 reference