CHEBI:88146 - 2''-O-malonyl-ADP-D-ribose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2''-O-malonyl-ADP-D-ribose
ChEBI ID CHEBI:88146
ChEBI ASCII Name 2''-O-malonyl-ADP-D-ribose
Definition A nucleotide-sugar having ADP as the nucleotide fragment and 2-O-malonyl-D-ribofuranos-5-yl as the sugar component.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H25N5O17P2
Net Charge 0
Average Mass 645.363
Monoisotopic Mass 645.07207
InChI InChI=1S/C18H25N5O17P2/c19-15-10-16(21-4-20-15)23(5-22-10)17-13(29)11(27)6(37-17)2-35-41(31,32)40-42(33,34)36-3-7-12(28)14(18(30)38-7)39-9(26)1-8(24)25/h4-7,11-14,17-18,27-30H,1-3H2,(H,24,25)(H,31,32)(H,33,34)(H2,19,20,21)/t6-,7-,11-,12-,13-,14-,17-,18?/m1/s1
InChIKey MGHFTDDAANKBKA-IQSXCWIYSA-N
SMILES O1C(O)[C@H](OC(CC(O)=O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)O)(=O)O
ChEBI Ontology
Outgoing 2''-O-malonyl-ADP-D-ribose (CHEBI:88146) has functional parent ADP-D-ribose (CHEBI:16960)
2''-O-malonyl-ADP-D-ribose (CHEBI:88146) is a nucleotide-sugar (CHEBI:25609)
2''-O-malonyl-ADP-D-ribose (CHEBI:88146) is conjugate acid of 2''-O-malonyl-ADP-D-ribose(3−) (CHEBI:87833)
Incoming 2''-O-malonyl-ADP-D-ribose(3−) (CHEBI:87833) is conjugate base of 2''-O-malonyl-ADP-D-ribose (CHEBI:88146)
IUPAC Name
adenosine 5'-{3-[2-O-(carboxyacetyl)-D-ribofuranos-5-O-yl] dihydrogen diphosphate}
Synonym Source
2''-O-malonyl-ADP-ribose ChEBI
Last Modified
07 October 2015