CHEBI:61755 - β-L-Ara4N-(KDO)2-lipid IVA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-L-Ara4N-(KDO)2-lipid IVA
ChEBI ID CHEBI:61755
ChEBI ASCII Name beta-L-Ara4N-(KDO)2-lipid IVA
Definition A lipid A comprising lipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues and carrying an additional 4-amino-4-deoxy-β-L-arabinopyranosyl esterifying group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C89H163N3O40P2
Net Charge 0
Average Mass 1977.19010
Monoisotopic Mass 1976.02881
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)/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-N
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](N)[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 (CHEBI:61755) is a lipid As (CHEBI:25051)
β-L-Ara4N-(KDO)2-lipid IVA (CHEBI:61755) is conjugate acid of β-L-Ara4N-(KDO)2-lipid IVA(4−) (CHEBI:61757)
Incoming β-L-Ara4N-(KDO)2-lipid IVA(4−) (CHEBI:61757) is conjugate base of β-L-Ara4N-(KDO)2-lipid IVA (CHEBI:61755)
IUPAC Name
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-4-O-[(4-amino-4-deoxy-β-L-arabinopyranosyloxy)(hydroxy)phosphoryl]-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-β-D-glucopyranosyl-(1→6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose
Citations Waiting for Citations Types Sources
10788469 PubMed citation Europe PMC
11535604 PubMed citation Europe PMC
Last Modified
10 December 2012