| Properties | Image |
|---|
| MNX_ID | MNXM158637 |
 |
| reference | chebi:73872 |
| formula | C85H157N4O41P |
| global charge | 0 |
| mol weight | 1922.152 |
| InChIKey | XLSAFWDRTNNRPE-MUGFWGHISA-N |
| InChI | InChI=1S/C85H157N4O41P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-114-44-50(115-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)45-118-131(112,113)117-37-34-86-79-58(87-47(3)96)65(103)74(54(41-93)119-79)126-80-59(88-48(4)97)66(104)76(56(43-95)123-80)128-84-73(111)77(64(102)57(125-84)46-116-82-71(109)68(106)61(99)51(38-90)120-82)129-85-78(70(108)63(101)53(40-92)122-85)130-81-60(89-49(5)98)67(105)75(55(42-94)124-81)127-83-72(110)69(107)62(100)52(39-91)121-83/h50-86,90-95,99-111H,6-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,112,113)/t50-,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+,84+,85-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCNC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)OCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H157N4O41P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-114-44-50(115-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)45-118-131(112,113)117-37-34-86-79-58(87-47(3)96)65(103)74(54(41-93)119-79)126-80-59(88-48(4)97)66(104)76(56(43-95)123-80)128-84-73(111)77(64(102)57(125-84)46-116-82-71(109)68(106)61(99)51(38-90)120-82)129-85-78(70(108)63(101)53(40-92)122-85)130-81-60(89-49(5)98)67(105)75(55(42-94)124-81)127-83-72(110)69(107)62(100)52(39-91)121-83/h50-86,90-95,99-111H,6-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,98)(H,112,113)/t50-,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+,84+,85-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:35][O:114][CH2:44][C@H:50]([CH2:45][O:118][P:131]([OH:112])(=[O:113])[O:117][CH2:37][CH2:34][NH:86][CH:79]1[C@H:58]([N:87]=[C:47]([CH3:3])[OH:96])[C@@H:65]([OH:103])[C@H:74]([O:126][C@H:80]2[C@H:59]([N:88]=[C:48]([CH3:4])[OH:97])[C@@H:66]([OH:104])[C@H:76]([O:128][C@H:84]3[C@@H:73]([OH:111])[C@@H:77]([O:129][C@@H:85]4[C@@H:78]([O:130][C@H:81]5[C@H:60]([N:89]=[C:49]([CH3:5])[OH:98])[C@@H:67]([OH:105])[C@H:75]([O:127][C@H:83]6[C@H:72]([OH:110])[C@@H:69]([OH:107])[C@@H:62]([OH:100])[C@@H:52]([CH2:39][OH:91])[O:121]6)[C@@H:55]([CH2:42][OH:94])[O:124]5)[C@@H:70]([OH:108])[C@H:63]([OH:101])[C@@H:53]([CH2:40][OH:92])[O:122]4)[C@H:64]([OH:102])[C@@H:57]([CH2:46][O:116][C@@H:82]4[C@@H:71]([OH:109])[C@@H:68]([OH:106])[C@H:61]([OH:99])[C@@H:51]([CH2:38][OH:90])[O:120]4)[O:125]3)[C@@H:56]([CH2:43][OH:95])[O:123]2)[C@@H:54]([CH2:41][OH:93])[O:119]1)[O:115][CH2:36][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2] |
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