| Properties | Image |
|---|
| MNX_ID | MNXM1368166 |
 |
| reference | keggC:C20625 |
| formula | C83H138N2O26P2 |
| global charge | 0 |
| mol weight | 1641.953 |
| InChIKey | JNHZJPLQKQTBFJ-WDJWUHPUSA-N |
| InChI | InChI=1S/C83H138N2O26P2/c1-51(2)26-16-27-52(3)28-17-29-53(4)30-18-31-54(5)32-19-33-55(6)34-20-35-56(7)36-21-37-57(8)38-22-39-58(9)40-23-41-59(10)42-24-43-60(11)44-25-45-61(12)46-47-102-112(98,99)111-113(100,101)110-81-69(85-64(15)90)78(73(94)67(50-88)105-81)107-80-68(84-63(14)89)77(72(93)66(49-87)104-80)108-83-79(75(96)71(92)65(48-86)106-83)109-82-76(97)74(95)70(91)62(13)103-82/h26,28,30,32,34,36,38,40,42,44,46,62,65-83,86-88,91-97H,16-25,27,29,31,33,35,37,39,41,43,45,47-50H2,1-15H3,(H,84,89)(H,85,90)(H,98,99)(H,100,101)/b52-28+,53-30+,54-32-,55-34-,56-36-,57-38-,58-40-,59-42-,60-44-,61-46-/t62-,65+,66+,67+,68+,69+,70+,71-,72-,73-,74+,75-,76-,77+,78+,79+,80+,81+,82-,83-/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C83H138N2O26P2/c1-51(2)26-16-27-52(3)28-17-29-53(4)30-18-31-54(5)32-19-33-55(6)34-20-35-56(7)36-21-37-57(8)38-22-39-58(9)40-23-41-59(10)42-24-43-60(11)44-25-45-61(12)46-47-102-112(98,99)111-113(100,101)110-81-69(85-64(15)90)78(73(94)67(50-88)105-81)107-80-68(84-63(14)89)77(72(93)66(49-87)104-80)108-83-79(75(96)71(92)65(48-86)106-83)109-82-76(97)74(95)70(91)62(13)103-82/h26,28,30,32,34,36,38,40,42,44,46,62,65-83,86-88,91-97H,16-25,27,29,31,33,35,37,39,41,43,45,47-50H2,1-15H3,(H,84,89)(H,85,90)(H,98,99)(H,100,101)/b52-28+,53-30+,54-32-,55-34-,56-36-,57-38-,58-40-,59-42-,60-44-,61-46-/t62-,65+,66+,67+,68+,69+,70+,71-,72-,73-,74+,75-,76-,77+,78+,79+,80+,81+,82-,83-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:51]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:52]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:53]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:54]([CH3:5])=[CH:32]\[CH2:19][CH2:33]/[C:55]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:56]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:57]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:58]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:59]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:60]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:61]([CH3:12])=[CH:46]\[CH2:47][O:102][P:112]([OH:98])(=[O:99])[O:111][P:113]([OH:100])(=[O:101])[O:110][C@@H:81]1[C@H:69]([N:85]=[C:64]([CH3:15])[OH:90])[C@@H:78]([O:107][C@@H:80]2[C@H:68]([N:84]=[C:63]([CH3:14])[OH:89])[C@@H:77]([O:108][C@H:83]3[C@H:79]([O:109][C@H:82]4[C@@H:76]([OH:97])[C@H:74]([OH:95])[C@H:70]([OH:91])[C@H:62]([CH3:13])[O:103]4)[C@@H:75]([OH:96])[C@@H:71]([OH:92])[C@@H:65]([CH2:48][OH:86])[O:106]3)[C@@H:72]([OH:93])[C@@H:66]([CH2:49][OH:87])[O:104]2)[C@@H:73]([OH:94])[C@@H:67]([CH2:50][OH:88])[O:105]1 |
|