CHEBI:61502 - heptosyl-(KDO)2-lipid A(6−)

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ChEBI Name heptosyl-(KDO)2-lipid A(6−)
ChEBI ID CHEBI:61502
ChEBI ASCII Name heptosyl-(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→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 C117H208N2O45P2
Net Charge -6
Average Mass 2424.83730
Monoisotopic Mass 2423.35573
InChI InChI=1S/C117H214N2O45P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-94(132)153-83(66-60-54-48-42-35-29-23-17-11-5)72-96(134)157-110-98(119-92(130)71-82(65-59-53-47-41-34-28-22-16-10-4)152-93(131)67-61-55-49-43-36-30-24-18-12-6)111(150-78-89-100(136)109(156-95(133)70-81(124)64-58-52-46-40-33-27-21-15-9-3)97(112(154-89)164-166(147,148)149)118-91(129)69-80(123)63-57-51-45-39-32-26-20-14-8-2)155-90(108(110)163-165(144,145)146)79-151-116(114(140)141)74-88(160-117(115(142)143)73-84(125)99(135)105(161-117)86(127)76-121)107(106(162-116)87(128)77-122)159-113-103(139)101(137)102(138)104(158-113)85(126)75-120/h80-90,97-113,120-128,135-139H,7-79H2,1-6H3,(H,118,129)(H,119,130)(H,140,141)(H,142,143)(H2,144,145,146)(H2,147,148,149)/p-6/t80-,81-,82-,83-,84-,85+,86-,87-,88-,89-,90-,97-,98-,99-,100-,101+,102+,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,116-,117-/m1/s1
InChIKey HPDZKCJEWNZSML-YOZKHJKSSA-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]1O)C([O-])=O)C([O-])=O)[C@H](O)CO
ChEBI Ontology
Outgoing heptosyl-(KDO)2-lipid A(6−) (CHEBI:61502) is a an L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(6−) (CHEBI:193068)
heptosyl-(KDO)2-lipid A(6−) (CHEBI:61502) is a lipid A oxoanion (CHEBI:60086)
heptosyl-(KDO)2-lipid A(6−) (CHEBI:61502) is conjugate base of heptosyl-(KDO)2-lipid A (CHEBI:61528)
Incoming heptosyl-(KDO)2-lipid A (CHEBI:61528) is conjugate acid of heptosyl-(KDO)2-lipid A(6−) (CHEBI:61502)
Synonyms Sources
heptosyl-(KDO)2-lipid A hexaanion ChEBI
L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A (E. coli) UniProt
L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A hexaanion ChEBI
L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(6−) ChEBI
Manual Xref Database
CPD0-929 MetaCyc
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Last Modified
08 September 2022