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- Double-bond stereo
- 27 of 29 defined stereocentres
(2S,3R,4E)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]-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-dihy droxypropyl]-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
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)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)NC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI=1S/C78H136N4O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-56(95)82-47(48(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-107-73-65(101)64(100)67(54(41-86)109-73)111-74-66(102)71(68(55(42-87)110-74)112-72-59(81-46(5)90)63(99)61(97)52(39-84)108-72)116-78(76(105)106)37-50(93)58(80-45(4)89)70(115-78)62(98)53(40-85)113-77(75(103)104)36-49(92)57(79-44(3)88)69(114-77)60(96)51(94)38-83/h20-21,32,34,47-55,57-74,83-87,91-94,96-102H,6-19,22-31,33,35-43H2,1-5H3,(H,79,88)(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b21-20-,34-32+/t47-,48+,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68-,69?,70?,71+,72-,73+,74-,77+,78-/m0/s1
RXBMZCCWNCEMOZ-YZYIWMAGSA-N
CSID:17216303, http://www.chemspider.com/Chemical-Structure.17216303.html (accessed 23:45, Apr 28, 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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