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

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ChEBI Name ADP-L-glycero-β-D-manno-heptose
ChEBI ID CHEBI:61530
ChEBI ASCII Name ADP-L-glycero-beta-D-manno-heptose
Definition An ADP-L-glycero-D-manno-heptose having β-configuration at the anomeric centre of the heptose.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H27N5O16P2
Net Charge 0
Average Mass 619.36770
Monoisotopic Mass 619.093
InChI InChI=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
InChIKey KMSFWBYFWSKGGR-DTBZDYEHSA-N
SMILES [H][C@@]1(O[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via ADP-L-glycero-D-manno-heptose )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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]
Database Link Database
EP2017281 Patent
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Registry Number Type Source
8818074 Reaxys Registry Number Reaxys
Last Modified
01 March 2011