agmatidine(2+) (Q27133220)

2-({4-[(Diaminomethylene)ammonio]butyl}amino)-1-(beta-D-ribofuranosyl)-4(1H)-pyrimidiniminium (English)

7 October 2016

chemical formula

C₁₄H₂₇N₇O₄²⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C(CCN=C1NC(C=CN1C2(C(C(C(CO)(O2)[H])(O)[H])(O)[H])[H])=[NH2+])CNC(=[NH2+])N

1 reference

agmatidine(2+) (English)

7 October 2016

isomeric SMILES

C(CCN=C1NC(C=CN1[C@]2([C@@]([C@@]([C@@](CO)(O2)[H])(O)[H])(O)[H])[H])=[NH2+])CNC(=[NH2+])N

1 reference

agmatidine(2+) (English)

InChI=1S/C14H25N7O4/c15-9-3-6-21(12-11(24)10(23)8(7-22)25-12)14(20-9)19-5-2-1-4-18-13(16)17/h3,6,8,10-12,22-24H,1-2,4-5,7H2,(H2,15,19,20)(H4,16,17,18)/p+2/t8-,10-,11-,12-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

agmatidine(2+) (English)

NHQSDCRALZPVAJ-HJQYOEGKSA-P

7 October 2016

InChIKey

2 references

agmatidine(2+) (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-({4-[(Diaminomethylene)ammonio]butyl}amino)-1-(beta-D-ribofuranosyl)-4(1H)-pyrimidiniminium (English)

7 October 2016

ChEBI ID

64327

mapping relation type

2 references

agmatidine(2+) (English)