| Properties | Image |
|---|
| MNX_ID | MNXM197432 |
 |
| reference | slm:000426697 |
| formula | C51H82O19P3 |
| global charge | -5 |
| mol weight | 1092.12 |
| InChIKey | IYHMNPZAJDXLEC-YSSQRVAPSA-I |
| InChI | InChI=1S/C51H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(53)67-43(41-65-44(52)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)42-66-73(63,64)70-49-46(54)47(55)50(68-71(57,58)59)51(48(49)56)69-72(60,61)62/h6,8,11-14,17-20,22,24,28,30,43,46-51,54-56H,3-5,7,9-10,15-16,21,23,25-27,29,31-42H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/p-5/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,30-28-/t43-,46-,47-,48+,49+,50+,51+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[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/C51H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(53)67-43(41-65-44(52)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)42-66-73(63,64)70-49-46(54)47(55)50(68-71(57,58)59)51(48(49)56)69-72(60,61)62/h6,8,11-14,17-20,22,24,28,30,43,46-51,54-56H,3-5,7,9-10,15-16,21,23,25-27,29,31-42H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,30-28-/t43-,46-,47-,48+,49+,50+,51+/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:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:53])[O:67][C@H:43]([CH2:41][O:65][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:52])[CH2:42][O:66][P:73]([OH:63])(=[O:64])[O:70][C@H:49]1[C@H:46]([OH:54])[C@@H:47]([OH:55])[C@H:50]([O:68][P:71]([OH:57])([OH:58])=[O:59])[C@@H:51]([O:69][P:72]([OH:60])([OH:61])=[O:62])[C@H:48]1[OH:56] |
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