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CHEBI:60362 - (KDO)3-lipid IVA

Default Structure
ChEBI IDCHEBI:60362
ChEBI Name(KDO)3-lipid IVA
Stars
ASCII Name(KDO)3-lipid IVA
DefinitionLipid IVA glycosylated with three 3-deoxy-D-manno-octulosonic acid (KDO) residues.
Last Modified8 October 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC92H166N2O44P2
Net Charge0
Average Mass2066.258
Monoisotopic Mass2065.02887
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@]4(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O4)[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/C92H166N2O44P2/c1-5-9-13-17-21-25-29-33-37-41-57(98)45-69(106)93-73-83(130-71(108)47-59(100)43-39-35-31-27-23-19-15-11-7-3)78(113)67(128-86(73)138-140(123,124)125)55-126-85-74(94-70(107)46-58(99)42-38-34-30-26-22-18-14-10-6-2)84(131-72(109)48-60(101)44-40-36-32-28-24-20-16-12-8-4)82(137-139(120,121)122)68(129-85)56-127-90(87(114)115)50-65(76(111)80(134-90)63(104)53-96)133-92(89(118)119)51-66(77(112)81(136-92)64(105)54-97)132-91(88(116)117)49-61(102)75(110)79(135-91)62(103)52-95/h57-68,73-86,95-105,110-113H,5-56H2,1-4H3,(H,93,106)(H,94,107)(H,114,115)(H,116,117)(H,118,119)(H2,120,121,122)(H2,123,124,125)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,90-,91-,92-/m1/s1
InChIKeyVTTDOFKNPMAETP-SGONGESZSA-N
ChEBI Ontology
Outgoing Relation(s)
(KDO)3-lipid IVA (CHEBI:60362) is a lipid As (CHEBI:25051)
(KDO)3-lipid IVA (CHEBI:60362) is conjugate acid of (KDO)3-lipid IVA(7−) (CHEBI:60367)
Incoming Relation(s)
(KDO)3-lipid IVA(7−) (CHEBI:60367) is conjugate base of (KDO)3-lipid IVA (CHEBI:60362)
IUPAC Name 
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-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
Synonym  Source
tri[3-deoxy-D-manno-octulosonyl]-lipid IV(A)ChEBI