| Properties | Image |
|---|
| MNX_ID | MNXM226837 |
 |
| reference | slm:000494422 |
| formula | C63H102O19P3 |
| global charge | -5 |
| mol weight | 1256.412 |
| InChIKey | HGPFTLBUYBSEOG-LLPXGQKFSA-I |
| InChI | InChI=1S/C63H107O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-56(64)77-53-55(79-57(65)52-50-48-46-44-42-40-38-36-33-22-20-18-16-14-12-10-8-6-4-2)54-78-85(75,76)82-63-59(67)61(80-83(69,70)71)58(66)62(60(63)68)81-84(72,73)74/h11-14,17-20,23-24,26-27,29-30,33,36,40,42,55,58-63,66-68H,3-10,15-16,21-22,25,28,31-32,34-35,37-39,41,43-54H2,1-2H3,(H,75,76)(H2,69,70,71)(H2,72,73,74)/p-5/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,36-33-,42-40-/t55-,58-,59-,60-,61-,62+,63-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H107O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-56(64)77-53-55(79-57(65)52-50-48-46-44-42-40-38-36-33-22-20-18-16-14-12-10-8-6-4-2)54-78-85(75,76)82-63-59(67)61(80-83(69,70)71)58(66)62(60(63)68)81-84(72,73)74/h11-14,17-20,23-24,26-27,29-30,33,36,40,42,55,58-63,66-68H,3-10,15-16,21-22,25,28,31-32,34-35,37-39,41,43-54H2,1-2H3,(H,75,76)(H2,69,70,71)(H2,72,73,74)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,36-33-,42-40-/t55-,58-,59-,60-,61-,62+,63-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:56](=[O:64])[O:77][CH2:53][C@H:55]([CH2:54][O:78][P:85]([OH:75])(=[O:76])[O:82][C@@H:63]1[C@H:59]([OH:67])[C@H:61]([O:80][P:83]([OH:69])([OH:70])=[O:71])[C@@H:58]([OH:66])[C@H:62]([O:81][P:84]([OH:72])([OH:73])=[O:74])[C@H:60]1[OH:68])[O:79][C:57]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:33]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:65] |
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