CHEBI:61507 - (heptosyl)2-(KDO)2-lipid A(6−)

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ChEBI Name (heptosyl)2-(KDO)2-lipid A(6−)
ChEBI ID CHEBI:61507
ChEBI ASCII Name (heptosyl)2-(KDO)2-lipid A(6-)
Definition A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of L-α-D-Hep-(1→3)-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C124H220N2O51P2
Net Charge -6
Average Mass 2617.00390
Monoisotopic Mass 2615.41912
InChI InChI=1S/C124H226N2O51P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-96(141)164-84(66-60-54-48-42-35-29-23-17-11-5)72-98(143)168-115-100(126-94(139)71-83(65-59-53-47-41-34-28-22-16-10-4)163-95(140)67-61-55-49-43-36-30-24-18-12-6)117(161-79-91-102(145)114(167-97(142)70-82(132)64-58-52-46-40-33-27-21-15-9-3)99(118(165-91)177-179(158,159)160)125-93(138)69-81(131)63-57-51-45-39-32-26-20-14-8-2)166-92(113(115)176-178(155,156)157)80-162-123(121(151)152)74-90(173-124(122(153)154)73-85(133)101(144)110(174-124)88(136)77-129)112(111(175-123)89(137)78-130)171-120-107(150)116(106(149)109(170-120)87(135)76-128)172-119-105(148)103(146)104(147)108(169-119)86(134)75-127/h81-92,99-120,127-137,144-150H,7-80H2,1-6H3,(H,125,138)(H,126,139)(H,151,152)(H,153,154)(H2,155,156,157)(H2,158,159,160)/p-6/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
InChIKey HHPCMWTVGVTYIC-CFEULOSXSA-H
SMILES [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OC[C@H]2O[C@@H](OC[C@H]3O[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]3O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]2OP([O-])([O-])=O)(O[C@]([H])([C@H](O)CO)[C@@H]1O[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)C([O-])=O)C([O-])=O)[C@H](O)CO
ChEBI Ontology
Outgoing (heptosyl)2-(KDO)2-lipid A(6−) (CHEBI:61507) is a an L-α-D-Hep-(1→3)-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(6−) (CHEBI:193069)
(heptosyl)2-(KDO)2-lipid A(6−) (CHEBI:61507) is a lipid A oxoanion (CHEBI:60086)
(heptosyl)2-(KDO)2-lipid A(6−) (CHEBI:61507) is conjugate base of (heptosyl)2-(KDO)2-lipid A (CHEBI:61523)
Incoming (heptosyl)2-(KDO)2-lipid A (CHEBI:61523) is conjugate acid of (heptosyl)2-(KDO)2-lipid A(6−) (CHEBI:61507)
Synonyms Sources
(heptosyl)2-(KDO)2-lipid A hexaanion ChEBI
heptosyl-heptosyl-kdo2-lipidA SUBMITTER
L-α-D-Hep-(1→3)-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A (E. coli) UniProt
L-α-D-Hep-(1→3)-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A hexaanion ChEBI
L-α-D-Hep-(1→3)-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(6−) ChEBI
Manual Xref Database
CPD0-930 MetaCyc
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Last Modified
08 September 2022