CHEBI:229206 - CMP-5'-(3-aminopropyl)phosphonate zwitterion

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CMP-5'-(3-aminopropyl)phosphonate zwitterion
ChEBI ID CHEBI:229206
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C12H21N4O10P2
Net Charge -1
Average Mass 443.266
Monoisotopic Mass 443.07384
InChI InChI=1S/C12H22N4O10P2/c13-3-1-5-27(20,21)26-28(22,23)24-6-7-9(17)10(18)11(25-7)16-4-2-8(14)15-12(16)19/h2,4,7,9-11,17-18H,1,3,5-6,13H2,(H,20,21)(H,22,23)(H2,14,15,19)/p-1/t7-,9-,10-,11-/m1/s1
InChIKey OGKREJFVUHDHTP-QCNRFFRDSA-M
SMILES C1=CC(=NC(N1[C@@H]2O[C@H](COP(OP([O-])(=O)CCC[NH3+])(=O)[O-])[C@H]([C@H]2O)O)=O)N
ChEBI Ontology
Outgoing CMP-5'-(3-aminopropyl)phosphonate zwitterion (CHEBI:229206) is a organophosphate oxoanion (CHEBI:58945)
Synonym Source
CMP-5'-(3-aminopropyl)phosphonate UniProt
Manual Xref Database
CPD-15966 MetaCyc accession
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