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CHEBI:61589 - 4-phospho-(KDO)-lipid IVA(7−)

ChEBI IDCHEBI:61589
ChEBI Name4-phospho-(KDO)-lipid IVA(7−)
Stars
ASCII Name4-phospho-(KDO)-lipid IVA(7-)
DefinitionThe lipid IVA oxoanion that is (KDO)-lipid IVA(5−) phosphorylated at the 4 position on the KDO moiety; protonated to pH 7.3.
Last Modified8 September 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC76H136N2O33P3
Net Charge-7
Average Mass1698.827
Monoisotopic Mass1697.82766
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](OP(=O)([O-])[O-])[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/C76H143N2O33P3/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(85)77-65-71(106-63(87)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(90)59(104-74(65)111-114(99,100)101)51-102-73-66(78-62(86)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(107-64(88)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(110-113(96,97)98)60(105-73)52-103-76(75(91)92)49-58(109-112(93,94)95)67(89)69(108-76)57(84)50-79/h53-60,65-74,79-84,89-90H,5-52H2,1-4H3,(H,77,85)(H,78,86)(H,91,92)(H2,93,94,95)(H2,96,97,98)(H2,99,100,101)/p-7/t53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,76-/m1/s1
InChIKeyIAPZNWXPUSJMBU-ACUQGRCXSA-G
ChEBI Ontology
Outgoing Relation(s)
4-phospho-(KDO)-lipid IVA(7−) (CHEBI:61589) has functional parent (KDO)-lipid IVA(5−) (CHEBI:60364)
4-phospho-(KDO)-lipid IVA(7−) (CHEBI:61589) is a a 4-O-phospho-α-Kdo-(2→6)-lipid IVA(7−) (CHEBI:193140)
4-phospho-(KDO)-lipid IVA(7−) (CHEBI:61589) is a lipid IVA oxoanion (CHEBI:60373)
Synonym  Source
phospho-3-deoxy-D-manno-octulosonyl-lipid IVAChEBI
UniProt Name  Source
4-O-phospho-α-Kdo-(2→6)-lipid IVA (E. coli)UniProt
Manual XrefsDatabases
CPD-12286MetaCyc
Citations