Methanopterin

CAS Registry Number®

79484-89-2

CAS Name

Methanopterin

Molecular Formula

C30H41N6O16P

Molecular Mass

772.65

Cite this Page

Methanopterin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79484-89-2 (retrieved 2024-11-22) (CAS RN: 79484-89-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H41N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12,16-19,23-25,29,32,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H3,31,33,35,36,44)/t12-,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1

InChIKey

InChIKey=ZHAHWVAVMXKKOA-NKRFXTRVSA-N

SMILES

O=C1C=2C(NC(C)=C([C@H](NC3=CC=C(C[C@@H]([C@@H]([C@@H](CO[C@H]4O[C@H](COP(O[C@@H](CCC(O)=O)C(O)=O)(=O)O)[C@@H](O)[C@H]4O)O)O)O)C=C3)C)N2)=NC(N)=N1

Canonical SMILES

O=C(O)CCC(OP(=O)(O)OCC1OC(OCC(O)C(O)C(O)CC2=CC=C(C=C2)NC(C=3N=C4C(=O)N=C(N=C4NC3C)N)C)C(O)C1O)C(=O)O

Other Names for this Substance

  • D-Ribitol, 1-[4-[[(1R)-1-(2-amino-3,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-α-D-ribofuranosyl]-
  • D-Ribitol, 1-[4-[[1-(2-amino-1,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[(1,3-dicarboxypropoxy)hydroxyphosphinyl]-α-D-ribofuranosyl]-, [1(R),5(S)]-
  • D-Ribitol, 1-[4-[[(1R)-1-(2-amino-1,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-α-D-ribofuranosyl]-
  • 1-[4-[[(1R)-1-(2-Amino-3,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[[(1S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-α-D-ribofuranosyl]-D-ribitol
  • Methanopterin

CAS INSIGHTSTM
Targeted protein degrader structure, illustration