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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-L-Ara4N-(KDO)2-lipid IVA(4−)
ChEBI ID CHEBI:61757
ChEBI ASCII Name beta-L-Ara4N-(KDO)2-lipid IVA(4-)
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C89H159N3O40P2
Net Charge -4
Average Mass 1973.15840
Monoisotopic Mass 1971.99971
InChI InChI=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
InChIKey QIVGFRSPDCVBFZ-FMIAHSSQSA-J
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]2OC[C@H]([NH3+])[C@H](O)[C@H]2O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
ChEBI Ontology
Outgoing 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 β-L-Ara4N-(KDO)2-lipid IVA (CHEBI:61755) is conjugate acid of β-L-Ara4N-(KDO)2-lipid IVA(4−) (CHEBI:61757)
Citations Types Sources
10788469 PubMed citation Europe PMC
11535604 PubMed citation Europe PMC
Last Modified
10 December 2012