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CHEBI:61757 - β-L-Ara4N-(KDO)2-lipid IVA(4−)

ChEBI IDCHEBI:61757
ChEBI Nameβ-L-Ara4N-(KDO)2-lipid IVA(4−)
Stars
ASCII Namebeta-L-Ara4N-(KDO)2-lipid IVA(4-)
DefinitionThe organophosphate oxoanion formed from β-L-Ara4N-(KDO)2-lipid IVA by deprotonation of the carboxy and phosphate groups. Major microspecies at pH 7.3.
Last Modified10 December 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC89H159N3O40P2
Net Charge-4
Average Mass1973.180
Monoisotopic Mass1971.99970
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]2OC[C@H]([NH3+])[C@H](O)[C@H]2O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
InChIInChI=1S/C89H163N3O40P2/c1-5-9-13-17-21-25-29-33-37-41-56(95)45-67(102)91-71-81(125-69(104)47-58(97)43-39-35-31-27-23-19-15-11-7-3)76(109)65(123-84(71)131-133(115,116)117)54-121-83-72(92-68(103)46-57(96)42-38-34-30-26-22-18-14-10-6-2)82(126-70(105)48-59(98)44-40-36-32-28-24-20-16-12-8-4)80(130-134(118,119)132-85-77(110)73(106)60(90)53-120-85)66(124-83)55-122-88(86(111)112)50-64(75(108)79(128-88)63(101)52-94)127-89(87(113)114)49-61(99)74(107)78(129-89)62(100)51-93/h56-66,71-85,93-101,106-110H,5-55,90H2,1-4H3,(H,91,102)(H,92,103)(H,111,112)(H,113,114)(H,118,119)(H2,115,116,117)/p-4/t56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,71-,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,88-,89-/m1/s1
InChIKeyQIVGFRSPDCVBFZ-FMIAHSSQSA-J
ChEBI Ontology
Outgoing Relation(s)
β-L-Ara4N-(KDO)2-lipid IVA(4−) (CHEBI:61757) is a carbohydrate acid derivative anion (CHEBI:63551)
β-L-Ara4N-(KDO)2-lipid IVA(4−) (CHEBI:61757) is a lipid IVA oxoanion (CHEBI:60373)
β-L-Ara4N-(KDO)2-lipid IVA(4−) (CHEBI:61757) is conjugate base of β-L-Ara4N-(KDO)2-lipid IVA (CHEBI:61755)
Incoming Relation(s)
β-L-Ara4N-(KDO)2-lipid IVA (CHEBI:61755) is conjugate acid of β-L-Ara4N-(KDO)2-lipid IVA(4−) (CHEBI:61757)
Citations