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CHEBI:61530 - ADP-L-glycero-β-D-manno-heptose

Default Structure
ChEBI IDCHEBI:61530
ChEBI NameADP-L-glycero-β-D-manno-heptose
Stars
ASCII NameADP-L-glycero-beta-D-manno-heptose
DefinitionAn ADP-L-glycero-D-manno-heptose having β-configuration at the anomeric centre of the heptose.
Last Modified1 March 2011
SubmitterSteve
DownloadsMolfile
FormulaC17H27N5O16P2
Net Charge0
Average Mass619.370
Monoisotopic Mass619.09280
SMILES[H][C@]1([C@@H](O)CO)O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6+,8+,9-,10-,11+,12-,13+,16+,17-/m0/s1
InChIKeyKMSFWBYFWSKGGR-DTBZDYEHSA-N
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
ADP-L-glycero-β-D-manno-heptose (CHEBI:61530) is a ADP-L-glycero-D-manno-heptose (CHEBI:15915)
ADP-L-glycero-β-D-manno-heptose (CHEBI:61530) is conjugate acid of ADP-L-glycero-β-D-manno-heptose(2−) (CHEBI:61506)
Incoming Relation(s)
ADP-L-glycero-β-D-manno-heptose(2−) (CHEBI:61506) is conjugate base of ADP-L-glycero-β-D-manno-heptose (CHEBI:61530)
IUPAC Name 
adenine 5'-[3-(L-glycero-β-D-manno-heptopyranosyl) dihydrogen diphosphate]
Manual XrefsDatabases
EP2017281Patent
Registry NumbersSources
Reaxys:8818074Reaxys