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CHEBI:61230 - β-D-Man-(1→4)-β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(3−)

ChEBI IDCHEBI:61230
ChEBI Nameβ-D-Man-(1→4)-β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(3−)
Stars
ASCII Namebeta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(3-)
DefinitionAn organophosphate oxoanion that is the trianion of β-D-Man-(1→4)-β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-ditrans,polycis-undecaprenol arising from deprotonation of both free diphosphate OH groups and the carboxy group of the glucuronic acid residue; major species at pH 7.3.
Last Modified23 October 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC85H137O33P2
Net Charge-3
Average Mass1748.946
Monoisotopic Mass1747.85338
SMILESCC(C)=CCC/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\COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C85H140O33P2/c1-49(2)23-13-24-50(3)25-14-26-51(4)27-15-28-52(5)29-16-30-53(6)31-17-32-54(7)33-18-34-55(8)35-19-36-56(9)37-20-38-57(10)39-21-40-58(11)41-22-42-59(12)43-44-107-119(103,104)118-120(105,106)117-84-73(99)69(95)75(63(48-89)111-84)112-83-74(100)76(66(92)62(47-88)109-83)113-85-78(68(94)65(91)61(46-87)110-85)115-82-72(98)70(96)77(79(116-82)80(101)102)114-81-71(97)67(93)64(90)60(45-86)108-81/h23,25,27,29,31,33,35,37,39,41,43,60-79,81-100H,13-22,24,26,28,30,32,34,36,38,40,42,44-48H2,1-12H3,(H,101,102)(H,103,104)(H,105,106)/p-3/b50-25+,51-27+,52-29-,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-/t60-,61-,62-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72-,73-,74-,75-,76+,77+,78+,79+,81+,82-,83+,84-,85-/m1/s1
InChIKeyXFMBRXXBELNQLT-OAHMHHMFSA-K
ChEBI Ontology
Outgoing Relation(s)
β-D-Man-(1→4)-β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(3−) (CHEBI:61230) is a organophosphate oxoanion (CHEBI:58945)
β-D-Man-(1→4)-β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(3−) (CHEBI:61230) is conjugate base of β-D-Man-(1→4)-β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-ditrans,polycis-undecaprenol (CHEBI:61211)
Incoming Relation(s)
β-D-Man-(1→4)-β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-ditrans,polycis-undecaprenol (CHEBI:61211) is conjugate acid of β-D-Man-(1→4)-β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(3−) (CHEBI:61230)
Synonyms  Source
β-D-Manp-(1→4)-β-D-GlcpA-(1→2)-α-D-Manp-(1→3)-β-D-Glcp-(1→4)-α-D-Glcp-1-diphospho-ditrans,polycis-undecaprenol(3−)ChEBI
D-Manp-β-(1→4)-D-GlcpA-β-(1→2)-D-Manp-α-(1→3)-D-Glcp-β-(1→4)-D-Glcp-α-1-diphospho-ditrans,octacis-undecaprenol(3−)ChEBI
D-Man-β-(1→4)-D-GlcA-β-(1→2)-D-Man-α-(1→3)-D-Glc-β-(1→4)-D-Glc-α-1-diphospho-ditrans,octacis-undecaprenol(3−)ChEBI
UniProt Name  Source
β-D-Man-(1→4)-β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-di-trans,octa-cis-undecaprenyl diphosphateUniProt
Citations