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Universal:hlipa

heptosyl-(KDO)2-lipid A(6-)

Default Component
hlipa:-6
  • heptosyl-(KDO)2-lipid A(6-)
  • Charge: -6
  • Formula: C117H208N2O45P2
CHEBI:61502
  • heptosyl-(KDO)2-lipid A(6-)
  • Type: Small Molecule
  • InChiKey: HPDZKCJEWNZSML-YOZKHJKSSA-H
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 2424.8373[0], 2424.0[1]
  • SMILES: [H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](OC[C@H]3O[C@@H](OC[C@H]4O[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]4O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]3OP(=O)([O-])[O-])(C(=O)[O-])O[C@]([H])([C@H](O)CO)[C@@H]2O[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)(C(=O)[O-])C[C@@H](O)[C@H]1O[0], CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](CO[C@]2(C(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]([C@H](O)CO)O2)O[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)[C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC[1]
  • Names: heptosyl-(KDO)2-lipid A hexaanion[0], L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A(6-)[0], L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A hexaanion[0], L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A (E. coli)[0], heptosyl-kdo2-lipidA[1], Rd2 LPS[1], heptosyl-Kdo2-lipid A[1]
Data Sources: [0] CHEBI:61502 via ChEBI, [1] cpd15485 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:61502 via ChEBI, [1] cpd15485 via ModelSEED
Alternative Component
hlipa:0
  • heptosyl-(KDO)2-lipid A
  • Charge: 0
  • Formula: C117H214N2O45P2
CHEBI:61528
  • heptosyl-(KDO)2-lipid A
  • Type: Small Molecule
  • InChiKey: HPDZKCJEWNZSML-YOZKHJKSSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 2430.885[0]
  • SMILES: [H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](OC[C@H]3O[C@@H](OC[C@H]4O[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]4O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]3OP(=O)(O)O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]2O[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O[0]
  • Names: L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A[0], 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-[L-glycero-alpha-D-manno-heptopyranosyl-(1->5)]-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-2-{[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose[0]
Data Sources: [0] CHEBI:61528 via ChEBI
Linkouts
Data Sources: [0] CHEBI:61528 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism