sodium (2R,4R,5S)-5-acetamido-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-2-(octadecanoylamino)-3-octadecanoyloxy-octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Molecular Formula:
C97H174N3NaO36
InChI: InChI=1/C97H175N3O36.Na/c1-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-71(110)100-63(66(50-47-44-41-38-35-32-27-24-21-18-15-12-9-3)126-72(111)52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-2)59-124-92-82(119)79(116)86(68(56-103)128-92)133-95-84(121)90(136-97(96(122)123)53-64(108)73(98-61(5)106)89(135-97)76(113)65(109)54-101)88(70(58-105)130-95)134-91-74(99-62(6)107)77(114)85(67(55-102)127-91)131-94-83(120)80(117)87(69(57-104)129-94)132-93-81(118)78(115)75(112)60(4)125-93;/h47,50,60,63-70,73-95,101-105,108-109,112-121H,7-46,48-49,51-59H2,1-6H3,(H,98,106)(H,99,107)(H,100,110)(H,122,123);/q;+1/p-1/b50-47+;/t60-,63?,64+,65+,66?,67+,68+,69+,70+,73-,74+,75+,76-,77+,78+,79+,80+,81-,82+,83+,84+,85-,86+,87-,88-,89?,90+,91-,92+,93-,94-,95-,97+;/m0./s1/fC97H174N3O36.Na/h98-100H;/q-1;m
InChIKey: InChIKey=DNHRNJSSICGZPP-NLVGBKFTDR
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)C)O)O)O)O)O)O)NC(=O)C)OC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)O)C(C=CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
Names:
sodium (2R,4R,5S)-5-acetamido-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-2-(octadecanoylamino)-3-octadecanoyloxy-octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Registries:
PubChem CID 10214372
PubChem ID 15212760
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|