CHEBI:40730 - adenosine 5'-methylenediphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name adenosine 5'-methylenediphosphate
ChEBI ID CHEBI:40730
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40387, CHEBI:40720
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Formula C11H17N5O9P2
Net Charge 0
Average Mass 425.22850
Monoisotopic Mass 425.05015
InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKey OLCWZBFDIYXLAA-IOSLPCCCSA-N
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing adenosine 5'-methylenediphosphate (CHEBI:40730) is a nucleoside diphosphate analogue (CHEBI:38310)
Incoming 1,3-selenazole-4-carboxamide adenine β-methylenedinucleotide (CHEBI:47668) has functional parent adenosine 5'-methylenediphosphate (CHEBI:40730)
1,3-thiazole-4-carboxamide adenine β-methylene-dinucleotide (CHEBI:45870) has functional parent adenosine 5'-methylenediphosphate (CHEBI:40730)
5'-O-[(R)-hydroxy({(S)-hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosine (CHEBI:44124) has functional parent adenosine 5'-methylenediphosphate (CHEBI:40730)
IUPAC Name
5'-O-[hydroxy(phosphonomethyl)phosphoryl]adenosine
Synonyms Sources
Adenosine 5'-(hydrogen (phosphonomethyl)phosphonate) ChemIDplus
Adenosine, 5'-(trihydrogen methylenebis(phosphonate)) ChemIDplus
PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER PDBeChem
Manual Xrefs Databases
A12 PDBeChem
AP2 PDBeChem
DB03148 DrugBank
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Registry Numbers Types Sources
3768-14-7 CAS Registry Number ChemIDplus
633678 Beilstein Registry Number Beilstein
Last Modified
19 March 2008