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CHEBI:60368 - (KDO)4-lipid IVA(8−)

Default Structure
ChEBI IDCHEBI:60368
ChEBI Name(KDO)4-lipid IVA(8−)
Stars
ASCII Name(KDO)4-lipid IVA(8-)
Definition(KDO)4-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
FormulaC100H170N2O51P2
Net Charge-8
Average Mass2278.371
Monoisotopic Mass2277.02896
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@]5(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O5)[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/C100H178N2O51P2/c1-5-9-13-17-21-25-29-33-37-41-59(107)45-73(116)101-77-89(143-75(118)47-61(109)43-39-35-31-27-23-19-15-11-7-3)83(124)71(141-92(77)153-155(136,137)138)57-139-91-78(102-74(117)46-60(108)42-38-34-30-26-22-18-14-10-6-2)90(144-76(119)48-62(110)44-40-36-32-28-24-20-16-12-8-4)88(152-154(133,134)135)72(142-91)58-140-97(93(125)126)50-68(80(121)85(148-97)65(113)54-104)146-99(95(129)130)52-70(82(123)87(150-99)67(115)56-106)147-100(96(131)132)51-69(81(122)86(151-100)66(114)55-105)145-98(94(127)128)49-63(111)79(120)84(149-98)64(112)53-103/h59-72,77-92,103-115,120-124H,5-58H2,1-4H3,(H,101,116)(H,102,117)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/p-8/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,97-,98-,99-,100-/m1/s1
InChIKeyTYLUQSNCPDWDDX-CHQVSXKGSA-F
ChEBI Ontology
Outgoing Relation(s)
(KDO)4-lipid IVA(8−) (CHEBI:60368) is a lipid IVA oxoanion (CHEBI:60373)
(KDO)4-lipid IVA(8−) (CHEBI:60368) is conjugate base of (KDO)4-lipid IVA (CHEBI:60363)
Incoming Relation(s)
(KDO)4-lipid IVA (CHEBI:60363) is conjugate acid of (KDO)4-lipid IVA(8−) (CHEBI:60368)