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- Double-bond stereo
- 22 of 34 defined stereocentres
(2S,3R,4E)-3-Hydroxy-2-(icosanoylamino)-4-octadecen-1-yl (4xi)-5-acetamido-6-[(1S,2R)-2-({(4xi)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-glycero-hex-2-ulopyranonosyl}oxy)-1,3- dihydroxypropyl]-3,5-dideoxy-beta-L-glycero-hex-2-ulopyranonosyl-(2->3)-alpha-L-erythro-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-L-erythro-hexopyranosyl-(1->4)-alpha-L-erythro-hexopyranosyl-(1-> 4)-beta-D-threo-hexopyranoside
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H](C(O1)CO)O[C@H]2C([C@H]([C@H](C(O2)CO)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O[C@H]4C([C@H]([C@H](C(O4)CO)O)O[C@@]5(CC([C@H](C(O5)[C@@H]([C@@H](CO)O[C@@]6(CC([C@H](C(O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI=1S/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-70(111)68(109)74(58(44-95)121-80)124-81-71(112)69(110)73(59(45-96)122-81)123-79-63(89-49(5)99)75(65(106)55(41-92)119-79)125-82-72(113)78(66(107)56(42-93)120-82)129-86(84(116)117)39-53(102)62(88-48(4)98)77(128-86)67(108)57(43-94)126-85(83(114)115)38-52(101)61(87-47(3)97)76(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55?,56?,57+,58?,59?,61+,62+,63?,64+,65-,66-,67+,68+,69+,70?,71?,72?,73-,74+,75+,76?,77?,78-,79-,80+,81-,82-,85+,86-/m0/s1
IJLCGNBLDFEWBP-WZIDFFRCSA-N
CSID:24849028, http://www.chemspider.com/Chemical-Structure.24849028.html (accessed 13:53, Apr 24, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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