EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:232312 - (4aR,6S,7R)-2-(adenosyl(5')diphospho(5)ribosyl)-6-hydroxy-7-acetamidosulfomoyl-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate

Default Structure
ChEBI IDCHEBI:232312
ChEBI Name(4aR,6S,7R)-2-(adenosyl(5')diphospho(5)ribosyl)-6-hydroxy-7-acetamidosulfomoyl-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate
Stars
ASCII Name(4aR,6S,7R)-2-(adenosyl(5')diphospho(5)ribosyl)-6-hydroxy-7-acetamidosulfomoyl-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H34N9O20P2S
Net Charge-3
Average Mass898.627
Monoisotopic Mass898.11325
SMILESNC(=O)C1=CN([C@@H]2O[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]2O)C=C2[C@H]1C[C@H](O)[C@@]2(NC(=O)CS(N)(=O)=O)C(=O)[O-]
InChIInChI=1S/C27H37N9O20P2S/c28-21-16-23(32-7-31-21)36(8-33-16)25-20(42)18(40)13(55-25)5-53-58(48,49)56-57(46,47)52-4-12-17(39)19(41)24(54-12)35-2-10(22(29)43)9-1-14(37)27(26(44)45,11(9)3-35)34-15(38)6-59(30,50)51/h2-3,7-9,12-14,17-20,24-25,37,39-42H,1,4-6H2,(H2,29,43)(H,34,38)(H,44,45)(H,46,47)(H,48,49)(H2,28,31,32)(H2,30,50,51)/p-3/t9-,12+,13+,14-,17+,18+,19+,20+,24+,25+,27+/m0/s1
InChIKeyHLBMZIBPRKXPSY-LBFKCWOPSA-K
ChEBI Ontology
Outgoing Relation(s)
(4aR,6S,7R)-2-(adenosyl(5')diphospho(5)ribosyl)-6-hydroxy-7-acetamidosulfomoyl-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylate (CHEBI:232312) is a organic anion (CHEBI:25696)
Synonym  Source
altemicidin intermediate 3SUBMITTER
UniProt Name  Source
(4aR,6S,7R)-2-(adenosyl(5')diphospho(5)ribosyl)-6-hydroxy-7-acetamidosulfomoyl-4-carbamoyl-4a,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-7-carboxylateUniProt
Manual XrefsDatabases
CPD-27178MetaCyc
Citations