EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:60363 - (KDO)4-lipid IVA

Default Structure
ChEBI IDCHEBI:60363
ChEBI Name(KDO)4-lipid IVA
Stars
ASCII Name(KDO)4-lipid IVA
DefinitionLipid IVA glycosylated with four 3-deoxy-D-manno-octulosonic acid (KDO) residues.
Last Modified8 October 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC100H178N2O51P2
Net Charge0
Average Mass2286.435
Monoisotopic Mass2285.08717
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)/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-N
ChEBI Ontology
Outgoing Relation(s)
(KDO)4-lipid IVA (CHEBI:60363) is a lipid As (CHEBI:25051)
(KDO)4-lipid IVA (CHEBI:60363) is conjugate acid of (KDO)4-lipid IVA(8−) (CHEBI:60368)
Incoming Relation(s)
(KDO)4-lipid IVA(8−) (CHEBI:60368) is conjugate base of (KDO)4-lipid IVA (CHEBI:60363)
IUPAC Name 
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-β-D-glucopyranosyl-(1→6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-α-D-glucopyranose
Synonym  Source
tetra[3-deoxy-D-manno-octulosonyl]-lipid IV(A)ChEBI