EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232290 - (4aR,7S)-2-(adenosyl(5')diphospho(5)ribosyl)-7-amino-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate(2−)

Default Structure
ChEBI IDCHEBI:232290
ChEBI Name(4aR,7S)-2-(adenosyl(5')diphospho(5)ribosyl)-7-amino-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate(2−)
Stars
ASCII Name(4aR,7S)-2-(adenosyl(5')diphospho(5)ribosyl)-7-amino-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate(2-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H32N8O16P2
Net Charge-2
Average Mass762.519
Monoisotopic Mass762.14225
SMILES[H][C@@]12CC[C@@]([NH3+])(C(=O)[O-])C1=CN([C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]1O)C=C2C(N)=O
InChIInChI=1S/C25H34N8O16P2/c26-19-14-21(30-7-29-19)33(8-31-14)23-18(37)16(35)13(48-23)6-46-51(43,44)49-50(41,42)45-5-12-15(34)17(36)22(47-12)32-3-10(20(27)38)9-1-2-25(28,24(39)40)11(9)4-32/h3-4,7-9,12-13,15-18,22-23,34-37H,1-2,5-6,28H2,(H2,27,38)(H,39,40)(H,41,42)(H,43,44)(H2,26,29,30)/p-2/t9-,12+,13+,15+,16+,17+,18+,22+,23+,25-/m0/s1
InChIKeyMOGNSULXXNDLRA-DOSMLZGGSA-L
ChEBI Ontology
Outgoing Relation(s)
(4aR,7S)-2-(adenosyl(5')diphospho(5)ribosyl)-7-amino-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate(2−) (CHEBI:232290) is a organic anion (CHEBI:25696)
Incoming Relation(s)
(4aR,6S,7R)-2-(adenosyl(5')diphospho(5)ribosyl)-6-hydroxy-7-amino-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate (CHEBI:232309) has functional parent (4aR,7S)-2-(adenosyl(5')diphospho(5)ribosyl)-7-amino-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate(2−) (CHEBI:232290)
UniProt Name  Source
(4aR,7S)-2-(adenosyl(5')diphospho(5)ribosyl)-7-amino-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylateUniProt
Manual XrefsDatabases
CPD-27185MetaCyc
Citations