EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:59966 - ADP-D-glycero-β-D-manno-heptose

ChEBI IDCHEBI:59966
ChEBI NameADP-D-glycero-β-D-manno-heptose
Stars
ASCII NameADP-D-glycero-beta-D-manno-heptose
DefinitionThe β-anomer of ADP-D-glycero-D-manno-heptose.
Last Modified4 August 2010
SubmitterMarcus Ennis
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+/m1/s1
InChIKeyKMSFWBYFWSKGGR-FQBROAFUSA-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-D-glycero-β-D-manno-heptose (CHEBI:59966) is a ADP-D-glycero-D-manno-heptose (CHEBI:16693)
ADP-D-glycero-β-D-manno-heptose (CHEBI:59966) is conjugate acid of ADP-D-glycero-β-D-manno-heptose(2−) (CHEBI:59967)
Incoming Relation(s)
ADP-D-glycero-β-D-manno-heptose(2−) (CHEBI:59967) is conjugate base of ADP-D-glycero-β-D-manno-heptose (CHEBI:59966)
IUPAC Name 
adenine 5'-[3-(D-glycero-β-D-manno-heptopyranosyl) dihydrogen diphosphate]
Registry NumbersSources
Beilstein:9682502Beilstein