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CHEBI:60364 - (KDO)-lipid IVA(5−)

Default Structure
ChEBI IDCHEBI:60364
ChEBI Name(KDO)-lipid IVA(5−)
Stars
ASCII Name(KDO)-lipid IVA(5-)
Definition(KDO)-lipid IVA deprotonated at both phosphono groups and at the uronic acid carboxy group. It is the major species at pH 7.3.
Last Modified8 September 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC76H137N2O30P2
Net Charge-5
Average Mass1620.864
Monoisotopic Mass1619.87588
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@@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/C76H142N2O30P2/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(86)77-65-71(104-63(88)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(91)59(102-74(65)108-110(97,98)99)51-100-73-66(78-62(87)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(105-64(89)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(107-109(94,95)96)60(103-73)52-101-76(75(92)93)49-57(84)67(90)69(106-76)58(85)50-79/h53-60,65-74,79-85,90-91H,5-52H2,1-4H3,(H,77,86)(H,78,87)(H,92,93)(H2,94,95,96)(H2,97,98,99)/p-5/t53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,76-/m1/s1
InChIKeyGPNCBCJEDRRCDW-ACUQGRCXSA-I
ChEBI Ontology
Outgoing Relation(s)
(KDO)-lipid IVA(5−) (CHEBI:60364) is a a Kdo-lipid IVA(5−) (CHEBI:176428)
(KDO)-lipid IVA(5−) (CHEBI:60364) is a lipid IVA oxoanion (CHEBI:60373)
(KDO)-lipid IVA(5−) (CHEBI:60364) is conjugate base of (KDO)-lipid IVA (CHEBI:27439)
Incoming Relation(s)
4-phospho-(KDO)-lipid IVA(7−) (CHEBI:61589) has functional parent (KDO)-lipid IVA(5−) (CHEBI:60364)
(KDO)-lipid IVA (CHEBI:27439) is conjugate acid of (KDO)-lipid IVA(5−) (CHEBI:60364)
UniProt Name  Source
α-Kdo-(2→6)-lipid IVA (E. coli)UniProt