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CHEBI:62860 - 4,6-Me(COOH)C-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(4−)

ChEBI IDCHEBI:62860
ChEBI Name4,6-Me(COOH)C-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(4−)
Stars
ASCII Name4,6-Me(COOH)C-beta-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(4-)
DefinitionAn organophosphate oxoanion that is the tetra-anion of 4,6-Me(COOH)C-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 both of the carboxy groups; major species at pH 7.3.
Last Modified23 October 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC88H138O35P2
Net Charge-4
Average Mass1817.985
Monoisotopic Mass1816.85158
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]5COC(C)(C(=O)[O-])O[C@H]5[C@H](O)[C@@H]4O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C88H142O35P2/c1-50(2)24-14-25-51(3)26-15-27-52(4)28-16-29-53(5)30-17-31-54(6)32-18-33-55(7)34-19-35-56(8)36-20-37-57(9)38-21-39-58(10)40-22-41-59(11)42-23-43-60(12)44-45-111-124(106,107)123-125(108,109)122-85-73(100)68(95)75(63(48-91)114-85)116-84-74(101)77(66(93)62(47-90)112-84)117-86-79(67(94)65(92)61(46-89)113-86)119-83-72(99)70(97)78(80(120-83)81(102)103)118-82-71(98)69(96)76-64(115-82)49-110-88(13,121-76)87(104)105/h24,26,28,30,32,34,36,38,40,42,44,61-80,82-86,89-101H,14-23,25,27,29,31,33,35,37,39,41,43,45-49H2,1-13H3,(H,102,103)(H,104,105)(H,106,107)(H,108,109)/p-4/b51-26+,52-28+,53-30-,54-32-,55-34-,56-36-,57-38-,58-40-,59-42-,60-44-/t61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71+,72-,73-,74-,75-,76-,77+,78+,79+,80+,82+,83-,84+,85-,86-,88?/m1/s1
InChIKeyRIYSMWRELQLQLB-JFOSXXDBSA-J
ChEBI Ontology
Outgoing Relation(s)
4,6-Me(COOH)C-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(4−) (CHEBI:62860) is a organophosphate oxoanion (CHEBI:58945)
4,6-Me(COOH)C-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(4−) (CHEBI:62860) is conjugate base of 4,6-Me(COOH)C-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:62858)
Incoming Relation(s)
4,6-Me(COOH)C-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:62858) is conjugate acid of 4,6-Me(COOH)C-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(4−) (CHEBI:62860)
Synonyms  Source
4,6-CH3(COOH)C-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(4−)ChEBI
4,6-Me(CO2H)C-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(4−)ChEBI
4,6-O-(1-carboxyethylidene)-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(4−)ChEBI
4,6-CH3(CO2H)C-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(4−)ChEBI
4,6-O-(1-carboxyethylidene)-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(4−)ChEBI
UniProt Name  Source
4,6-Me(COOH)C-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