CHEBI:68672 - N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−)
ChEBI ID CHEBI:68672
ChEBI ASCII Name N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2-)
Definition An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C65H106N2O11P2
Net Charge -2
Average Mass 1153.49150
Monoisotopic Mass 1152.72828
InChI InChI=1S/C65H108N2O11P2/c1-48(2)26-16-27-49(3)28-17-29-50(4)30-18-31-51(5)32-19-33-52(6)34-20-35-53(7)36-21-37-54(8)38-22-39-55(9)40-23-41-56(10)42-24-43-57(11)44-25-45-58(12)46-47-75-79(71,72)78-80(73,74)77-65-63(67-61(15)69)64(70)62(59(13)76-65)66-60(14)68/h26,28,30,32,34,36,38,40,42,44,46,59,62-65,70H,16-25,27,29,31,33,35,37,39,41,43,45,47H2,1-15H3,(H,66,68)(H,67,69)(H,71,72)(H,73,74)/p-2/b49-28+,50-30+,51-32+,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-,58-46-/t59-,62-,63-,64+,65-/m1/s1
InChIKey IUPUBECBZWCNJL-DBXODTDNSA-L
SMILES C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1NC(C)=O
ChEBI Ontology
Outgoing N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68672) is a organophosphate oxoanion (CHEBI:58945)
N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68672) is conjugate base of N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68825)
Incoming N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68825) is conjugate acid of N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68672)
IUPAC Name
2,4-diacetamido-2,4,6-trideoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-α-D-glucopyranose
Synonyms Sources
N,N'-diacetyl-α-D-bacillosaminyl-tri-trans,hepta-cis-undecaprenyl diphosphate UniProt
N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate ChEBI
Citation Type Source
16618123 PubMed citation SUBMITTER
Last Modified
23 October 2020