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CHEBI:87049 - lipid IVB(4−)

ChEBI IDCHEBI:87049
ChEBI Namelipid IVB(4−)
Stars
ASCII Namelipid IVB(4-)
DefinitionAn lipid IVA oxoanion arising from deprotonation of the phosphate OH groups of lipid IVB; major species at pH 7.3.
Last Modified9 September 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC84H156N2O24P2
Net Charge-4
Average Mass1640.110
Monoisotopic Mass1639.05452
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](OP(=O)([O-])[O-])O[C@H](CO[C@@H]2O[C@H](CO)[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
InChIInChI=1S/C84H160N2O24P2/c1-6-11-16-21-26-31-32-33-34-39-44-49-54-59-74(93)104-69(58-53-48-43-38-30-25-20-15-10-5)63-73(92)86-77-81(107-75(94)61-67(89)56-51-46-41-36-28-23-18-13-8-3)79(96)71(106-84(77)110-112(100,101)102)65-103-83-78(85-72(91)60-66(88)55-50-45-40-35-27-22-17-12-7-2)82(80(70(64-87)105-83)109-111(97,98)99)108-76(95)62-68(90)57-52-47-42-37-29-24-19-14-9-4/h66-71,77-84,87-90,96H,6-65H2,1-5H3,(H,85,91)(H,86,92)(H2,97,98,99)(H2,100,101,102)/p-4/t66-,67-,68-,69-,70-,71-,77-,78-,79-,80-,81-,82-,83-,84-/m1/s1
InChIKeyAAVXLHPJFCDXQA-HWRCWJQOSA-J
ChEBI Ontology
Outgoing Relation(s)
lipid IVB(4−) (CHEBI:87049) is a a lipid IVB(4−) (CHEBI:193143)
lipid IVB(4−) (CHEBI:87049) is a lipid IVA oxoanion (CHEBI:60373)
IUPAC Name 
2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphonato-β-D-glucopyranosyl)-2-{[(3R)-3-(hexadecanoyloxy)tetradecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-1-O-phosphonato-α-D-glucopyranose
UniProt Name  Source
lipid IVB (E. coli)UniProt
Manual XrefsDatabases
CPD0-1281MetaCyc