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[(2S)-1-[[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[[2-azanylethoxy(oxidanyl)phosphoryl]oxymethyl]-3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-oxidanyl-oxan-2-yl]oxy-3-azanyl-6-(hydroxymethyl)-4-oxidanyl-oxan-2

Systemtic Name:	[(2S)-1-[[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[[2-azanylethoxy(oxidanyl)phosphoryl]oxymethyl]-3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-oxidanyl-oxan-2-yl]oxy-3-azanyl-6-(hydroxymethyl)-4-oxidanyl-oxan-2
Openeye Name:	[(1S)-1-[[[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-4-hydroxy-tetrahydropyran-2-yl]oxy-3-amino-
CAS Name:	octadecanoic acid [(2S)-1-[[(1R,2R,3S,4R,5R,6R)-2-[[(2R,3R,4R,5S,6R)-5-[[(2R,3S,4S,5S,6R)-5-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[[(2R,3S,4S,5S,6R)-6-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-4,5-dihydroxy-3-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-4-hydroxy-2-oxanyl]oxy]-3-amino-4-hydroxy-6-(hydroxymethyl)-2-o
IUPAC Name:	[(2S)-1-[[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxyoxan-2-yl]oxy-3-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydr
Traditional Name:	stearic acid [(1S)-1-[[[(1R,2R,3S,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-6-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-4-hydroxy-tetrahydropyran-2-yl]oxy-3-amino-4-hyd
Formula:	C₈₇H₁₆₅N₄O₄₇P₃
MolecularWeight:	2112.160883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C(C(C1OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)COP(=O)(O)OCCN)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)NC(=O)C)O)OP(=O)(O)OCCN)O)N)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COP(=O)(O)OCCN)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)NC(=O)C)O)OP(=O)(O)OCCN)O)N)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C87H165N4O47P3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-119-45-50(125-57(97)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-123-141(117,118)137-78-72(110)68(106)67(105)71(109)77(78)134-82-58(90)64(102)75(54(44-95)129-82)133-87-81(138-140(115,116)122-40-37-89)74(112)76(132-83-59(91-49(3)96)65(103)60(98)51(41-92)126-83)56(131-87)47-120-85-79(69(107)62(100)53(43-94)128-85)136-86-80(135-84-73(111)66(104)61(99)52(42-93)127-84)70(108)63(101)55(130-86)48-124-139(113,114)121-39-36-88/h50-56,58-87,92-95,98-112H,4-48,88-90H2,1-3H3,(H,91,96)(H,113,114)(H,115,116)(H,117,118)/t50-,51+,52+,53+,54+,55+,56+,58+,59+,60-,61+,62+,63+,64+,65+,66-,67+,68+,69-,70-,71-,72+,73-,74-,75+,76+,77+,78+,79-,80-,81-,82+,83-,84+,85-,86+,87+/m0/s1

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