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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > 4,6-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-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > 4,6-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-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organophosphate oxoanion > 4,6-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-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > 4,6-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-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > 4,6-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-)

Preferred term

4,6-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-)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • -4

formula

  • C88H138O35P2

inchi

  • InChI=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

inchikey

  • RIYSMWRELQLQLB-JFOSXXDBSA-J

is_conjugate_base_of

mass

  • 1817.96380

monoisotopicmass

  • 1816.85158

smiles

  • CC(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@@H](O[C@@H]4O[C@@H]5COC(C)(O[C@H]5[C@H](O)[C@@H]4O)C([O-])=O)[C@H](O)[C@H]3O)C([O-])=O)[C@H]2O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym RELATED

  • 4,6-CH3(CO2H)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-)
  • 4,6-CH3(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-)
  • 4,6-Me(CO2H)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-)
  • 4,6-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-di-trans,octa-cis-undecaprenyl diphosphate
  • 4,6-O-(1-carboxyethylidene)-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-)
  • 4,6-O-(1-carboxyethylidene)-beta-D-Manp-(1->4)-beta-D-GlcpA-(1->2)-alpha-D-Manp-(1->3)-beta-D-Glcp-(1->4)-alpha-D-Glcp-1-diphospho-ditrans,polycis-undecaprenol(4-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62860

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