EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193075 - L-α-D-Hep-(1→3)-4-O-phospho-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(8−)

ChEBI IDCHEBI:193075
ChEBI NameL-α-D-Hep-(1→3)-4-O-phospho-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(8−)
Stars
ASCII NameL-alpha-D-Hep-(1->3)-4-O-phospho-L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A(8-)
DefinitionMajor species at pH 7.3
Last Modified8 September 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC124H219N2O54P3
Net Charge-8
Average Mass2694.998
Monoisotopic Mass2693.37089
SMILES[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](OC[C@H]3O[C@@H](OC[C@H]4O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]4O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]3OP(=O)([O-])[O-])(C(=O)[O-])O[C@]([H])([C@H](O)CO)[C@@H]2O[C@H]2O[C@]([H])([C@@H](O)CO)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@H]3O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)(C(=O)[O-])C[C@@H](O)[C@H]1O
InChIInChI=1S/C124H227N2O54P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-96(141)166-84(66-60-54-48-42-35-29-23-17-11-5)72-98(143)170-114-100(126-94(139)71-83(65-59-53-47-41-34-28-22-16-10-4)165-95(140)67-61-55-49-43-36-30-24-18-12-6)117(163-79-91-102(145)113(169-97(142)70-82(132)64-58-52-46-40-33-27-21-15-9-3)99(118(167-91)180-183(160,161)162)125-93(138)69-81(131)63-57-51-45-39-32-26-20-14-8-2)168-92(112(114)178-181(154,155)156)80-164-123(121(150)151)74-90(175-124(122(152)153)73-85(133)101(144)108(176-124)87(135)76-128)111(110(177-123)89(137)78-130)173-120-106(149)115(116(179-182(157,158)159)109(172-120)88(136)77-129)174-119-105(148)103(146)104(147)107(171-119)86(134)75-127/h81-92,99-120,127-137,144-149H,7-80H2,1-6H3,(H,125,138)(H,126,139)(H,150,151)(H,152,153)(H2,154,155,156)(H2,157,158,159)(H2,160,161,162)/p-8/t81-,82-,83-,84-,85-,86+,87-,88+,89-,90-,91-,92-,99-,100-,101-,102-,103+,104+,105+,106+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,123-,124-/m1/s1
InChIKeyQQDKROYPLTZMSD-GVCXRRLSSA-F
ChEBI Ontology
Outgoing Relation(s)
L-α-D-Hep-(1→3)-4-O-phospho-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(8−) (CHEBI:193075) is a an L-α-D-Hep-(1→3)-4-O-phospho-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(8−) (CHEBI:193070)
UniProt Name  Source
L-α-D-Hep-(1→3)-4-O-phospho-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A (E. coli)UniProt
Manual XrefsDatabases
CPD-24487MetaCyc