N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate(2-) (Q27140206)

inferred from isomeric SMILES

1 February 2021

mass

480.1169454218198 dalton

1 reference

based on heuristic

chemical formula

C₁₈H₂₁N₆O₈P²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C4C(C(C(O4)COP(=O)([O-])[O-])O)O

1 reference

CHEBI:72951 (English)

7 October 2016

isomeric SMILES

C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])[O-])O)O

1 reference

CHEBI:72951 (English)

InChI=1S/C18H23N6O8P/c19-18-23-16-12(17(27)24-18)22-10(6-21-16)5-20-9-3-1-8(2-4-9)15-14(26)13(25)11(32-15)7-31-33(28,29)30/h1-4,11,13-15,20,25-26H,5-7H2,(H2,28,29,30)(H4,19,21,23,24,27)/p-2/t11-,13-,14-,15+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:72951 (English)

VNLUYZYZRAWLHI-NGFQHRJXSA-L

7 October 2016

InChIKey

2 references

CHEBI:72951 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S)-1-(4-{[(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methyl]amino}phenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol (English)

7 October 2016

1 reference

CHEBI:72951 (English)

7 October 2016

ChEBI ID

72951

mapping relation type

1 reference