(Q27124770)

CDP-N-methylethanolamine anion (English)

6 October 2016

chemical formula

C₁₂H₂₁N₄O₁₁P₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[NH2+]CCOP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O

1 reference

CDP-N-methylethanolamine anion (English)

6 October 2016

isomeric SMILES

C[NH2+]CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O

1 reference

CDP-N-methylethanolamine anion (English)

InChI=1S/C12H22N4O11P2/c1-14-3-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)16-4-2-8(13)15-12(16)19/h2,4,7,9-11,14,17-18H,3,5-6H2,1H3,(H,20,21)(H,22,23)(H2,13,15,19)/p-1/t7-,9-,10-,11-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CDP-N-methylethanolamine anion (English)

RSPRLQAZJOAGFP-QCNRFFRDSA-M

6 October 2016

InChIKey

2 references

CDP-N-methylethanolamine anion (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5'-O-[({[2-(Methylammonio)ethoxy]phosphinato}oxy)phosphinato]cytidine (English)

6 October 2016

1 reference

CDP-N-methylethanolamine anion (English)

6 October 2016

ChEBI ID

57547

mapping relation type

1 reference