disodium (5R)-2-{[3-({4-[(5-{[(5R)-2-carboxylato-5-acetamido-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-6-[(4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-octadecanamidoicos-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

化合物标识与属性

CAS

12707-58-3

PubChem CID

170924128

SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)OC5(CC([C@H](C(O5)[C@H]([C@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)NC(=O)C)OC6(CC([C@H](C(O6)[C@H]([C@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)O)[C@@H](C=CCCCCCCCCCCCCCCC)O.[Na+].[Na+]

Canonical SMILES

CCCCCCCCCCCCCCCC=C[C@@H](O)[C@H](COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(OC5(C(=O)[O-])CC(O)[C@@H](NC(C)=O)C([C@@H](O)[C@@H](O)CO)O5)C(O)C4O)C3NC(C)=O)C(OC3(C(=O)[O-])CC(O)[C@@H](NC(C)=O)C([C@@H](O)[C@@H](O)CO)O3)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCC.[Na+].[Na+]