Tetrahydromethanopterin

CAS Registry Number®

92481-94-2
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CAS Name

Tetrahydromethanopterin

Molecular Formula

C30H45N6O16P

Molecular Mass

776.68

Cite this Page

Tetrahydromethanopterin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=92481-94-2 (retrieved 2024-03-19) (CAS RN: 92481-94-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H45N6O16P/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/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)

InChIKey

InChIKey=SCBIBGUJSMHIAI-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(C)C(C(NC3=CC=C(CC(C(C(COC4OC(COP(OC(CCC(O)=O)C(O)=O)(=O)O)C(O)C4O)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)C3NC=4C(=O)N=C(N)NC4NC3C)C(O)C1O)C(=O)O

Other Names for this Substance

  • D-Ribitol, 1-[4-[[(1R)-1-[(6S,7S)-2-amino-1,4,5,6,7,8-hexahydro-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-1,4,5,6,7,8-hexahydro-7-methyl-4-oxo-6-pteridinyl)ethyl]amino]phenyl]-1-deoxy-5-O-[5-O-[(1,3-dicarboxypropoxy)hydroxyphosphinyl]-α-D-ribofuranosyl]-, [1[R(6S,7S)],5(S)]-
  • 1-[4-[[(1R)-1-[(6S,7S)-2-Amino-1,4,5,6,7,8-hexahydro-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
  • Tetrahydromethanopterin
  • 5,6,7,8-Tetrahydromethanopterin

Deleted or Replaced CAS Registry Numbers

90735-36-7, 155326-47-9

CAS INSIGHTSTM
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