CHEBI:16693 - ADP-D-glycero-D-manno-heptose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ADP-D-glycero-D-manno-heptose
ChEBI ID CHEBI:16693
ChEBI ASCII Name ADP-D-glycero-D-manno-heptose
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20842, CHEBI:2343, CHEBI:13223
Supplier Information
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Formula C17H27N5O16P2
Net Charge 0
Average Mass 619.36790
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?/m1/s1
InChIKey KMSFWBYFWSKGGR-RQWOTHMISA-N
SMILES [H][C@@]1(OC(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
Metabolite of Species Details
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ADP-D-glycero-D-manno-heptose (CHEBI:16693) has role Escherichia coli metabolite (CHEBI:76971)
ADP-D-glycero-D-manno-heptose (CHEBI:16693) is a ADP-glycero-D-manno-heptose (CHEBI:20847)
ADP-D-glycero-D-manno-heptose (CHEBI:16693) is conjugate acid of ADP-D-glycero-D-manno-heptose(2−) (CHEBI:57863)
Incoming ADP-D-glycero-β-D-manno-heptose (CHEBI:59966) is a ADP-D-glycero-D-manno-heptose (CHEBI:16693)
ADP-D-glycero-D-manno-heptose(2−) (CHEBI:57863) is conjugate base of ADP-D-glycero-D-manno-heptose (CHEBI:16693)
IUPAC Name
adenine 5'-[3-(D-glycero-D-manno-heptopyranosyl) dihydrogen diphosphate]
Synonym Source
ADP-D-glycero-D-manno-heptose KEGG COMPOUND
Database Link Database
C06397 KEGG COMPOUND
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Last Modified
25 January 2016