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Universal:kdolipid4

(KDO)-lipid IVA(5-)

Default Component
kdolipid4:-5
  • (KDO)-lipid IVA(5-)
  • Charge: -5
  • Formula: C76H137N2O30P2
CHEBI:60364
  • (KDO)-lipid IVA(5-)
  • Type: Small Molecule
  • InChiKey: GPNCBCJEDRRCDW-ACUQGRCXSA-I
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 1620.8439[0], 1621.0[1]
  • SMILES: CCCCCCCCCCC[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[0], CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)([O-])[O-])O[C@H](CO[C@@H]2O[C@H](CO[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[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[1]
  • Names: alpha-Kdo-(2->6)-lipid IVA (E. coli)[0], KDO-lipid IV(A)[1], (KDO)-lipid IVA[1], (kdo)-lipid iv(a)[1], 3-Deoxy-D-manno-octulosonyl-2',3',2',3'-tetrakis(beta- hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate[1], 3-Deoxy-D-manno-octulosonyl-2',3',2',3'-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate[1], 3-Deoxy-D-manno-octulosonyl-lipid IV(A)[1], 3-deoxy-alpha-D-manno-oct-2-ulopyranosyl-(2->6)-2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose[1], Kdo-lipid IV(A)[1], alpha-Kdo-(2->6)-lipid IVA[1]
Data Sources: [0] CHEBI:60364 via ChEBI, [1] cpd03585 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:60364 via ChEBI, [1] cpd03585 via ModelSEED
Alternative Component
kdolipid4:0
  • (KDO)-lipid IVA
  • Charge: 0
  • Formula: C76H142N2O30P2
CHEBI:27439
  • (KDO)-lipid IVA
  • Type: Small Molecule
  • InChiKey: GPNCBCJEDRRCDW-ACUQGRCXSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 1625.8836[0]
  • SMILES: CCCCCCCCCCC[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[0]
  • Names: 3-Deoxy-D-manno-octulosonyl-lipid IV(A)[0], KDO-lipid IV(A)[0], 3-Deoxy-D-manno-octulosonyl-2',3',2',3'-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate[0], 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose[0]
Data Sources: [0] CHEBI:27439 via ChEBI
Linkouts
Data Sources: [0] CHEBI:27439 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism