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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
Formula C117H208N2O45P2
Net Charge -6
Average Mass 2424.83730
Monoisotopic Mass 2423.352
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 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 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
View more database links
Last Modified
27 October 2017