CHEBI:60364 - (KDO)-lipid IVA(5−)

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ChEBI Name (KDO)-lipid IVA(5−)
ChEBI ID CHEBI:60364
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C76H137N2O30P2
Net Charge -5
Average Mass 1620.84390
Monoisotopic Mass 1619.873
InChI InChI=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
InChIKey GPNCBCJEDRRCDW-ACUQGRCXSA-I
SMILES CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](O[C@H](CO[C@@H]2O[C@H](CO[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (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 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)
Synonym Source
α-Kdo-(2→6)-lipid IVA UniProt
Last Modified
27 June 2014
General Comment
2010-10-08 The lipid lengths may vary depending on the strain of bacterium.