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CHEBI:60367 - (KDO)3-lipid IVA(7−)

Default Structure
ChEBI IDCHEBI:60367
ChEBI Name(KDO)3-lipid IVA(7−)
Stars
ASCII Name(KDO)3-lipid IVA(7-)
Definition(KDO)3-lipid IVA deprotonated at both phosphono groups and at the uronic acid carboxy groups. It is the major species at pH 7.3.
Last Modified29 June 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC92H159N2O44P2
Net Charge-7
Average Mass2059.202
Monoisotopic Mass2057.97793
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)/p-7/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-G
ChEBI Ontology
Outgoing Relation(s)
(KDO)3-lipid IVA(7−) (CHEBI:60367) is a an α-Kdo-(2→4)-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVA(7−) (CHEBI:193025)
(KDO)3-lipid IVA(7−) (CHEBI:60367) is a lipid IVA oxoanion (CHEBI:60373)
(KDO)3-lipid IVA(7−) (CHEBI:60367) is conjugate base of (KDO)3-lipid IVA (CHEBI:60362)
Incoming Relation(s)
(KDO)3-lipid IVA (CHEBI:60362) is conjugate acid of (KDO)3-lipid IVA(7−) (CHEBI:60367)
UniProt Name  Source
α-Kdo-(2→4)-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid IVAUniProt