CHEBI:60365 - (KDO)2-lipid IVA(6−)

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ChEBI Name (KDO)2-lipid IVA(6−)
ChEBI ID CHEBI:60365
ChEBI ASCII Name (KDO)2-lipid IVA(6-)
Definition (KDO)2-lipid IVA deprotonated at both phosphono groups and at the uronic acid carboxy groups. It is the major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000008215638
Download Molfile XML SDF
Formula C84H148N2O37P2
Net Charge -6
Average Mass 1840.01260
Monoisotopic Mass 1838.92691
InChI InChI=1S/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/p-6/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m1/s1
InChIKey XAOLJGCZESYRFT-VHSKNIDJSA-H
SMILES CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[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]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C([O-])=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
ChEBI Ontology
Outgoing (KDO)2-lipid IVA(6−) (CHEBI:60365) is a a (Kdo)2-lipid IVA(6−) (CHEBI:176429)
(KDO)2-lipid IVA(6−) (CHEBI:60365) is a lipid IVA oxoanion (CHEBI:60373)
(KDO)2-lipid IVA(6−) (CHEBI:60365) is conjugate base of (KDO)2-lipid IVA (CHEBI:28526)
Incoming (KDO)2-lipid IVA (CHEBI:28526) is conjugate acid of (KDO)2-lipid IVA(6−) (CHEBI:60365)
Synonym Source
α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA (E. coli) UniProt
Last Modified
08 September 2022
General Comment
2010-10-08 The lipid lengths may vary depending on the strain of bacterium.