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CHEBI:28526 - (KDO)2-lipid IVA

ChEBI IDCHEBI:28526
ChEBI Name(KDO)2-lipid IVA
Stars
ASCII Name(KDO)2-lipid IVA
DefinitionLipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues.
Secondary ChEBI IDsCHEBI:4477, CHEBI:23657
Last Modified25 January 2016
DownloadsMolfile
FormulaC84H154N2O37P2
Net Charge0
Average Mass1846.081
Monoisotopic Mass1844.97057
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)/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-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
(KDO)2-lipid IVA (CHEBI:28526) has role Escherichia coli metabolite (CHEBI:76971)
(KDO)2-lipid IVA (CHEBI:28526) is a lipid As (CHEBI:25051)
(KDO)2-lipid IVA (CHEBI:28526) is conjugate acid of (KDO)2-lipid IVA(6−) (CHEBI:60365)
Incoming Relation(s)
(KDO)2-lipid IVA(6−) (CHEBI:60365) is conjugate base of (KDO)2-lipid IVA (CHEBI:28526)
IUPAC Name 
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-β-D-glucopyranosyl-(1→6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-α-D-glucopyranose
Synonyms  Source
Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A)KEGG COMPOUND
KDO2-lipid IV(A)KEGG COMPOUND
Manual XrefsDatabases
C06025KEGG COMPOUND
G11160KEGG GLYCAN