Chebi:142334

Structural Information

Molecular Formula

C₈₀H₁₃₃N₅O₄₈

SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[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)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](COC(=O)C)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC=O)O

InChI

InChI=1S/C80H133N5O48/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(98)38(81-32-92)30-120-72-60(110)59(109)63(48(28-90)123-72)125-74-62(112)70(133-80(77(117)118)23-42(101)52(84-35(4)95)68(131-80)58(108)47(27-89)128-78(75(113)114)21-40(99)51(83-34(3)94)67(129-78)55(105)44(103)31-119-37(6)97)64(49(29-91)124-74)126-71-53(85-36(5)96)65(56(106)45(25-87)121-71)127-73-61(111)69(57(107)46(26-88)122-73)132-79(76(115)116)22-41(100)50(82-33(2)93)66(130-79)54(104)43(102)24-86/h19-20,32,38-74,86-91,98-112H,7-18,21-31H2,1-6H3,(H,81,92)(H,82,93)(H,83,94)(H,84,95)(H,85,96)(H,113,114)(H,115,116)(H,117,118)/b20-19+/t38-,39+,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56-,57-,58+,59+,60+,61+,62+,63+,64-,65+,66+,67+,68+,69-,70+,71-,72+,73-,74-,78+,79-,80-/m0/s1

InChIKey

UWJJGYYGACQOFS-JXYKRCJLSA-N

Compound name

(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-formamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Related CIDs

• CID 172429279