| Properties | Image |
|---|
| MNX_ID | MNXM1364556 |
 |
| reference | keggC:C20416 |
| formula | C64H107NO16P2 |
| global charge | 0 |
| mol weight | 1208.499 |
| InChIKey | LTCQFZLIKIMFIG-DRJIPIRHSA-N |
| InChI | InChI=1S/C64H107NO16P2/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-76-82(72,73)81-83(74,75)80-63-57(65-55(13)67)62(59(69)56(43-66)78-63)79-64-61(71)60(70)58(68)54(12)77-64/h23,25,27,29,31,33,35,37,39,41,54,56-64,66,68-71H,14-22,24,26,28,30,32,34,36,38,40,42-43H2,1-13H3,(H,65,67)(H,72,73)(H,74,75)/b45-25+,46-27-,47-29-,48-31-,49-33-,50-35-,51-37-,52-39-,53-41-/t54-,56+,57+,58-,59+,60+,61+,62+,63+,64-/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)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C64H107NO16P2/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-76-82(72,73)81-83(74,75)80-63-57(65-55(13)67)62(59(69)56(43-66)78-63)79-64-61(71)60(70)58(68)54(12)77-64/h23,25,27,29,31,33,35,37,39,41,54,56-64,66,68-71H,14-22,24,26,28,30,32,34,36,38,40,42-43H2,1-13H3,(H,65,67)(H,72,73)(H,74,75)/b45-25+,46-27-,47-29-,48-31-,49-33-,50-35-,51-37-,52-39-,53-41-/t54-,56+,57+,58-,59+,60+,61+,62+,63+,64-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:44]([CH3:2])=[CH:23][CH2:14][CH2:24]/[C:45]([CH3:3])=[CH:25]/[CH2:15][CH2:26]/[C:46]([CH3:4])=[CH:27]\[CH2:16][CH2:28]/[C:47]([CH3:5])=[CH:29]\[CH2:17][CH2:30]/[C:48]([CH3:6])=[CH:31]\[CH2:18][CH2:32]/[C:49]([CH3:7])=[CH:33]\[CH2:19][CH2:34]/[C:50]([CH3:8])=[CH:35]\[CH2:20][CH2:36]/[C:51]([CH3:9])=[CH:37]\[CH2:21][CH2:38]/[C:52]([CH3:10])=[CH:39]\[CH2:22][CH2:40]/[C:53]([CH3:11])=[CH:41]\[CH2:42][O:76][P:82]([OH:72])(=[O:73])[O:81][P:83]([OH:74])(=[O:75])[O:80][C@@H:63]1[C@H:57]([N:65]=[C:55]([CH3:13])[OH:67])[C@@H:62]([O:79][C@H:64]2[C@H:61]([OH:71])[C@H:60]([OH:70])[C@@H:58]([OH:68])[C@H:54]([CH3:12])[O:77]2)[C@H:59]([OH:69])[C@@H:56]([CH2:43][OH:66])[O:78]1 |
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