| Properties | Image |
|---|
| MNX_ID | MNXM213134 |
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| reference | slm:000446351 |
| formula | C62H108O19P3 |
| global charge | -5 |
| mol weight | 1250.449 |
| InChIKey | PXCOZVNRAGOBOG-NHOYJZOZSA-I |
| InChI | InChI=1S/C62H113O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37-41-44-47-50-56(64)78-54(51-76-55(63)49-46-43-40-38-35-36-39-42-45-48-53(2)3)52-77-84(74,75)81-62-58(66)60(79-82(68,69)70)57(65)61(59(62)67)80-83(71,72)73/h5-6,8-9,11-12,14-15,17-18,53-54,57-62,65-67H,4,7,10,13,16,19-52H2,1-3H3,(H,74,75)(H2,68,69,70)(H2,71,72,73)/p-5/b6-5-,9-8-,12-11-,15-14-,18-17-/t54-,57-,58-,59-,60-,61+,62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C62H113O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37-41-44-47-50-56(64)78-54(51-76-55(63)49-46-43-40-38-35-36-39-42-45-48-53(2)3)52-77-84(74,75)81-62-58(66)60(79-82(68,69)70)57(65)61(59(62)67)80-83(71,72)73/h5-6,8-9,11-12,14-15,17-18,53-54,57-62,65-67H,4,7,10,13,16,19-52H2,1-3H3,(H,74,75)(H2,68,69,70)(H2,71,72,73)/b6-5-,9-8-,12-11-,15-14-,18-17-/t54-,57-,58-,59-,60-,61+,62-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:37][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:64])[O:78][C@H:54]([CH2:51][O:76][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:38][CH2:35][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH:53]([CH3:2])[CH3:3])=[O:63])[CH2:52][O:77][P:84]([OH:74])(=[O:75])[O:81][C@@H:62]1[C@H:58]([OH:66])[C@H:60]([O:79][P:82]([OH:68])([OH:69])=[O:70])[C@@H:57]([OH:65])[C@H:61]([O:80][P:83]([OH:71])([OH:72])=[O:73])[C@H:59]1[OH:67] |
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