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CHEBI:60365 - (KDO)2-lipid IVA(6−)

ChEBI IDCHEBI:60365
ChEBI Name(KDO)2-lipid IVA(6−)
Stars
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.
Last Modified8 September 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC84H148N2O37P2
Net Charge-6
Average Mass1840.033
Monoisotopic Mass1838.92691
SMILESCCCCCCCCCCC[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(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
InChIInChI=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
InChIKeyXAOLJGCZESYRFT-VHSKNIDJSA-H
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(KDO)2-lipid IVA (CHEBI:28526) is conjugate acid of (KDO)2-lipid IVA(6−) (CHEBI:60365)
UniProt Name  Source
α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA (E. coli)UniProt