- Double-bond stereo
- 27 of 29 defined stereocentres
(2S,3R,4E)-3-Hydroxy-2-(icosanoylamino)-4-octadecen-1-yl 5-acetamido-6-[(1S,2R)-2-({5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropy l]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
CCCCCCCCCCCCCCCCCCCC(=O)N[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)NC(=O)C)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)O[C@@]5(C[C@@H]([C@H](C(O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI=1S/C80H142N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-58(97)84-49(50(93)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-109-75-67(103)66(102)69(56(43-88)111-75)113-76-68(104)73(70(57(44-89)112-76)114-74-61(83-48(5)92)65(101)63(99)54(41-86)110-74)118-80(78(107)108)39-52(95)60(82-47(4)91)72(117-80)64(100)55(42-87)115-79(77(105)106)38-51(94)59(81-46(3)90)71(116-79)62(98)53(96)40-85/h34,36,49-57,59-76,85-89,93-96,98-104H,6-33,35,37-45H2,1-5H3,(H,81,90)(H,82,91)(H,83,92)(H,84,97)(H,105,106)(H,107,108)/b36-34+/t49-,50+,51-,52-,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68+,69+,70-,71?,72?,73+,74-,75+,76-,79+,80-/m0/s1
ONUDHQSSNJFFIP-LLXXMCGDSA-N
CSID:17216306, http://www.chemspider.com/Chemical-Structure.17216306.html (accessed 13:17, Apr 19, 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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