| Properties | Image |
|---|
| MNX_ID | MNXM1073 |
 |
| reference | chebi:59088 |
| formula | C83H142N2O52P2 |
| global charge | 0 |
| mol weight | 2061.959 |
| InChIKey | PWYYAJLOGRNTHW-ZEWZEXCSSA-N |
| InChI | InChI=1S/C83H142N2O52P2/c1-32(2)13-9-14-33(3)15-10-16-34(4)17-11-18-35(5)19-12-20-36(6)21-22-119-138(114,115)137-139(116,117)136-76-49(85-38(8)95)58(104)68(46(30-93)127-76)129-75-48(84-37(7)94)57(103)69(45(29-92)126-75)130-80-67(113)71(132-82-74(63(109)54(100)42(26-89)124-82)135-83-73(62(108)53(99)43(27-90)125-83)134-79-65(111)60(106)51(97)40(24-87)122-79)56(102)47(128-80)31-118-77-66(112)70(55(101)44(28-91)120-77)131-81-72(61(107)52(98)41(25-88)123-81)133-78-64(110)59(105)50(96)39(23-86)121-78/h13,15,17,19,36,39-83,86-93,96-113H,9-12,14,16,18,20-31H2,1-8H3,(H,84,94)(H,85,95)(H,114,115)(H,116,117)/b33-15+,34-17+,35-19+/t36?,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+,75+,76-,77+,78-,79-,80+,81-,82-,83-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](OP(=O)(O)OP(=O)(O)OCCC(C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[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]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C83H142N2O52P2/c1-32(2)13-9-14-33(3)15-10-16-34(4)17-11-18-35(5)19-12-20-36(6)21-22-119-138(114,115)137-139(116,117)136-76-49(85-38(8)95)58(104)68(46(30-93)127-76)129-75-48(84-37(7)94)57(103)69(45(29-92)126-75)130-80-67(113)71(132-82-74(63(109)54(100)42(26-89)124-82)135-83-73(62(108)53(99)43(27-90)125-83)134-79-65(111)60(106)51(97)40(24-87)122-79)56(102)47(128-80)31-118-77-66(112)70(55(101)44(28-91)120-77)131-81-72(61(107)52(98)41(25-88)123-81)133-78-64(110)59(105)50(96)39(23-86)121-78/h13,15,17,19,36,39-83,86-93,96-113H,9-12,14,16,18,20-31H2,1-8H3,(H,84,94)(H,85,95)(H,114,115)(H,116,117)/b33-15+,34-17+,35-19+/t36?,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+,75+,76-,77+,78-,79-,80+,81-,82-,83-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:32]([CH3:2])=[CH:13][CH2:9][CH2:14]/[C:33]([CH3:3])=[CH:15]/[CH2:10][CH2:16]/[C:34]([CH3:4])=[CH:17]/[CH2:11][CH2:18]/[C:35]([CH3:5])=[CH:19]/[CH2:12][CH2:20][CH:36]([CH3:6])[CH2:21][CH2:22][O:119][P:138]([OH:114])(=[O:115])[O:137][P:139]([OH:116])(=[O:117])[O:136][C@@H:76]1[C@H:49]([N:85]=[C:38]([CH3:8])[OH:95])[C@@H:58]([OH:104])[C@H:68]([O:129][C@H:75]2[C@H:48]([N:84]=[C:37]([CH3:7])[OH:94])[C@@H:57]([OH:103])[C@H:69]([O:130][C@H:80]3[C@@H:67]([OH:113])[C@@H:71]([O:132][C@@H:82]4[C@@H:74]([O:135][C@@H:83]5[C@@H:73]([O:134][C@@H:79]6[C@@H:65]([OH:111])[C@@H:60]([OH:106])[C@H:51]([OH:97])[C@@H:40]([CH2:24][OH:87])[O:122]6)[C@@H:62]([OH:108])[C@H:53]([OH:99])[C@@H:43]([CH2:27][OH:90])[O:125]5)[C@@H:63]([OH:109])[C@H:54]([OH:100])[C@@H:42]([CH2:26][OH:89])[O:124]4)[C@H:56]([OH:102])[C@@H:47]([CH2:31][O:118][C@@H:77]4[C@@H:66]([OH:112])[C@@H:70]([O:131][C@@H:81]5[C@@H:72]([O:133][C@@H:78]6[C@@H:64]([OH:110])[C@@H:59]([OH:105])[C@H:50]([OH:96])[C@@H:39]([CH2:23][OH:86])[O:121]6)[C@@H:61]([OH:107])[C@H:52]([OH:98])[C@@H:41]([CH2:25][OH:88])[O:123]5)[C@H:55]([OH:101])[C@@H:44]([CH2:28][OH:91])[O:120]4)[O:128]3)[C@@H:45]([CH2:29][OH:92])[O:126]2)[C@@H:46]([CH2:30][OH:93])[O:127]1 |
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