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CHEBI:138439 - [α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-Man-(1→2)-α-D-Man-(1→2)]n-α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-GlcNAc-ditrans,octacis-undecaprenol(2−)

ChEBI IDCHEBI:138439
ChEBI Name[α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-Man-(1→2)-α-D-Man-(1→2)]n-α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-GlcNAc-ditrans,octacis-undecaprenol(2−)
Stars
ASCII Name[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol(2-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of [α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-Man-(1→2)-α-D-Man-(1→2)]n-α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-GlcNAc-ditrans,octacis-undecaprenol; major species at pH 7.3.
Last Modified15 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
Formula(C24H40O20)n.C81H133NO27P2
Net Charge-2
Average Mass2263.447
Monoisotopic Mass2262.06641
SMILES[H]O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@@H]4[C@@H](O[C@@H]5[C@@H](O[C@@H]6[C@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](CO)O[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]8NC(C)=O)O[C@H](CO)[C@H]7O)O[C@H](CO)[C@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C105H175NO47P2/c1-54(2)24-14-25-55(3)26-15-27-56(4)28-16-29-57(5)30-17-31-58(6)32-18-33-59(7)34-19-35-60(8)36-20-37-61(9)38-21-39-62(10)40-22-41-63(11)42-23-43-64(12)44-45-136-154(132,133)153-155(134,135)152-98-74(106-65(13)115)91(78(119)69(49-110)137-98)145-100-87(128)93(80(121)70(50-111)139-100)147-102-90(131)95(82(123)73(53-114)141-102)149-104-97(85(126)77(118)67(47-108)143-104)151-105-96(84(125)76(117)68(48-109)144-105)150-103-89(130)94(81(122)72(52-113)142-103)148-101-88(129)92(79(120)71(51-112)140-101)146-99-86(127)83(124)75(116)66(46-107)138-99/h24,26,28,30,32,34,36,38,40,42,44,66-105,107-114,116-131H,14-23,25,27,29,31,33,35,37,39,41,43,45-53H2,1-13H3,(H,106,115)(H,132,133)(H,134,135)/p-2/b55-26+,56-28+,57-30-,58-32-,59-34-,60-36-,61-38-,62-40-,63-42-,64-44-/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,87+,88+,89+,90+,91-,92+,93+,94+,95+,96+,97+,98-,99-,100-,101-,102-,103-,104-,105-/m1/s1
InChIKeyPEKCGWVETOEGDP-YFNJDAGPSA-L
ChEBI Ontology
Outgoing Relation(s)
[α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-Man-(1→2)-α-D-Man-(1→2)]n-α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-GlcNAc-ditrans,octacis-undecaprenol(2−) (CHEBI:138439) is a organophosphate oxoanion (CHEBI:58945)
UniProt Name  Source
[α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-Man-(1→2)-α-D-Man-(1→2)]n-α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-Man-(1→3)-α-D-GlcNAc-ditrans,octacis-undecaprenolUniProt