| Properties | Image |
|---|
| MNX_ID | MNXM1065171 |
 |
| reference | slm:000757835 |
| formula | C71H128N3O31S |
| global charge | -1 |
| mol weight | 1551.862 |
| InChIKey | ALHQTAUCAVSDTN-NAMRUONOSA-M |
| InChI | InChI=1S/C71H129N3O31S/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-51(83)74-44(45(82)34-32-30-28-26-24-22-18-16-14-12-10-8-6-2)41-95-69-59(89)58(88)62(50(40-79)100-69)101-70-61(91)66(57(87)49(39-78)98-70)104-71-60(90)65(56(86)48(38-77)99-71)103-67-52(72-42(3)80)63(54(84)46(36-75)96-67)102-68-53(73-43(4)81)64(105-106(92,93)94)55(85)47(37-76)97-68/h32,34,44-50,52-71,75-79,82,84-91H,5-31,33,35-41H2,1-4H3,(H,72,80)(H,73,81)(H,74,83)(H,92,93,94)/p-1/b34-32+/t44-,45+,46+,47+,48+,49+,50+,52+,53+,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65-,66-,67-,68+,69+,70-,71+/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H129N3O31S/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-51(83)74-44(45(82)34-32-30-28-26-24-22-18-16-14-12-10-8-6-2)41-95-69-59(89)58(88)62(50(40-79)100-69)101-70-61(91)66(57(87)49(39-78)98-70)104-71-60(90)65(56(86)48(38-77)99-71)103-67-52(72-42(3)80)63(54(84)46(36-75)96-67)102-68-53(73-43(4)81)64(105-106(92,93)94)55(85)47(37-76)97-68/h32,34,44-50,52-71,75-79,82,84-91H,5-31,33,35-41H2,1-4H3,(H,72,80)(H,73,81)(H,74,83)(H,92,93,94)/b34-32+/t44-,45+,46+,47+,48+,49+,50+,52+,53+,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65-,66-,67-,68+,69+,70-,71+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:51](=[N:74][C@@H:44]([CH2:41][O:95][C@H:69]1[C@H:59]([OH:89])[C@@H:58]([OH:88])[C@H:62]([O:101][C@H:70]2[C@H:61]([OH:91])[C@@H:66]([O:104][C@@H:71]3[C@H:60]([OH:90])[C@@H:65]([O:103][C@H:67]4[C@H:52]([N:72]=[C:42]([CH3:3])[OH:80])[C@@H:63]([O:102][C@@H:68]5[C@H:53]([N:73]=[C:43]([CH3:4])[OH:81])[C@@H:64]([O:105][S:106]([OH:92])(=[O:93])=[O:94])[C@@H:55]([OH:85])[C@@H:47]([CH2:37][OH:76])[O:97]5)[C@@H:54]([OH:84])[C@@H:46]([CH2:36][OH:75])[O:96]4)[C@@H:56]([OH:86])[C@@H:48]([CH2:38][OH:77])[O:99]3)[C@@H:57]([OH:87])[C@@H:49]([CH2:39][OH:78])[O:98]2)[C@@H:50]([CH2:40][OH:79])[O:100]1)[C@@H:45](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:82])[OH:83] |
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