EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:74009 - 3-O-methylphospho-α-D-Man-(1→2)-α-D-Man-(1→2)-[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(3−)

Default Structure
ChEBI IDCHEBI:74009
ChEBI Name3-O-methylphospho-α-D-Man-(1→2)-α-D-Man-(1→2)-[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(3−)
Stars
ASCII Name3-O-methylphospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[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(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 3-O-methylphospho-α-D-Man-(1→2)-α-D-Man-(1→2)-[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.
Last Modified16 June 2017
SubmitterKAX
DownloadsMolfile
Formula(C24H40O20)n.C94H155NO40P3
Net Charge-3
Average Mass2680.727
Monoisotopic Mass2679.14676
SMILESCOP(=O)([O-])O[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](O[C@@H]3[C@@H](O[C@@H]4[C@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O[C@@H]6[C@@H](O[C@@H]7[C@@H](O[C@@H]8[C@H](O)[C@@H](O[C@@H]9[C@H](O)[C@@H](O[C@H]%10[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]%10NC(C)=O)O[C@H](CO)[C@H]9O)O[C@H](CO)[C@H]8O)O[C@H](CO)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@@H](O)[C@@H]6O)O[C@H](CO)[C@H]5O)O[C@H](CO)[C@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C118H198NO60P3/c1-57(2)25-15-26-58(3)27-16-28-59(4)29-17-30-60(5)31-18-32-61(6)33-19-34-62(7)35-20-36-63(8)37-21-38-64(9)39-22-40-65(10)41-23-42-66(11)43-24-44-67(12)45-46-157-181(152,153)179-182(154,155)178-109-79(119-68(13)130)99(84(135)73(51-124)158-109)168-110-94(145)100(85(136)74(52-125)159-110)169-111-96(147)102(87(138)76(54-127)160-111)171-115-107(92(143)82(133)69(47-120)164-115)175-117-105(90(141)80(131)71(49-122)166-117)173-113-95(146)101(86(137)75(53-126)162-113)170-112-97(148)103(88(139)77(55-128)161-112)172-116-108(93(144)83(134)70(48-121)165-116)176-118-106(91(142)81(132)72(50-123)167-118)174-114-98(149)104(177-180(150,151)156-14)89(140)78(56-129)163-114/h25,27,29,31,33,35,37,39,41,43,45,69-118,120-129,131-149H,15-24,26,28,30,32,34,36,38,40,42,44,46-56H2,1-14H3,(H,119,130)(H,150,151)(H,152,153)(H,154,155)/p-3/b58-27+,59-29+,60-31-,61-33-,62-35-,63-37-,64-39-,65-41-,66-43-,67-45-/t69-,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+,106+,107+,108+,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-/m1/s1
InChIKeyFFOYMTZHPZCAFR-GGWOGHCCSA-K
ChEBI Ontology
Outgoing Relation(s)
3-O-methylphospho-α-D-Man-(1→2)-α-D-Man-(1→2)-[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(3−) (CHEBI:74009) is a organophosphate oxoanion (CHEBI:58945)
3-O-methylphospho-α-D-Man-(1→2)-α-D-Man-(1→2)-[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(3−) (CHEBI:74009) is conjugate base of 3-O-methylphospho-α-D-Man-(1→2)-α-D-Man-(1→2)-[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 (CHEBI:74097)
Incoming Relation(s)
3-O-methylphospho-α-D-Man-(1→2)-α-D-Man-(1→2)-[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 (CHEBI:74097) is conjugate acid of 3-O-methylphospho-α-D-Man-(1→2)-α-D-Man-(1→2)-[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(3−) (CHEBI:74009)
UniProt Name  Source
3-O-methylphospho-α-D-Man-(1→2)-α-D-Man-(1→2)-[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-di-trans,octa-cis-undecaprenolUniProt
Citations