CHEBI:61524 - (KDO)2-(lauroyl)-lipid IVA(6−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (KDO)2-(lauroyl)-lipid IVA(6−)
ChEBI ID CHEBI:61524
ChEBI ASCII Name (KDO)2-(lauroyl)-lipid IVA(6-)
Definition A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of (KDO)2-(lauroyl)-lipid IVA; 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 C96H170N2O38P2
Net Charge -6
Average Mass 2022.31510
Monoisotopic Mass 2021.09397
InChI InChI=1S/C96H176N2O38P2/c1-6-11-16-21-26-31-36-41-46-51-66(101)56-76(107)97-81-89(130-79(110)57-67(102)52-47-42-37-32-27-22-17-12-7-2)85(114)74(128-92(81)136-138(122,123)124)64-125-91-82(98-77(108)59-69(54-49-44-39-34-29-24-19-14-9-4)127-78(109)55-50-45-40-35-30-25-20-15-10-5)90(131-80(111)58-68(103)53-48-43-38-33-28-23-18-13-8-3)88(135-137(119,120)121)75(129-91)65-126-95(93(115)116)61-73(84(113)87(133-95)72(106)63-100)132-96(94(117)118)60-70(104)83(112)86(134-96)71(105)62-99/h66-75,81-92,99-106,112-114H,6-65H2,1-5H3,(H,97,107)(H,98,108)(H,115,116)(H,117,118)(H2,119,120,121)(H2,122,123,124)/p-6/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,95-,96-/m1/s1
InChIKey JVUUYJGQIVCMIU-ZODGSCPMSA-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](O)CCCCCCCCCCC)[C@@H]2OP([O-])([O-])=O)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C([O-])=O)C([O-])=O)[C@H](O)CO
ChEBI Ontology
Outgoing (KDO)2-(lauroyl)-lipid IVA(6−) (CHEBI:61524) is a a (Kdo)2-(acyl)-lipid IVA(6−) (CHEBI:176430)
(KDO)2-(lauroyl)-lipid IVA(6−) (CHEBI:61524) is a lipid A oxoanion (CHEBI:60086)
(KDO)2-(lauroyl)-lipid IVA(6−) (CHEBI:61524) is conjugate base of (KDO)2-(lauroyl)-lipid IVA (CHEBI:27422)
Incoming (KDO)2-(lauroyl)-lipid IVA (CHEBI:27422) is conjugate acid of (KDO)2-(lauroyl)-lipid IVA(6−) (CHEBI:61524)
Synonyms Sources
(KDO)2-(lauroyl)-lipid IVA hexaanion ChEBI
α-Kdo-(2→4)-α-Kdo-(2→6)-(dodecanoyl)-lipid IVA (E. coli) UniProt
lauroyl-KDO2-lipid IV (A) SUBMITTER
Manual Xref Database
KDO2-LAUROYL-LIPID-IVA MetaCyc
View more database links
Last Modified
08 September 2022