| Properties | Image |
|---|
| MNX_ID | MNXM216622 |
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| reference | slm:000427263 |
| formula | C51H84O19P3 |
| global charge | -5 |
| mol weight | 1094.136 |
| InChIKey | PBXOTFPXYNEYEM-KKIUEAQBSA-I |
| InChI | InChI=1S/C51H89O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-44(52)65-41-43(67-45(53)40-38-36-34-32-29-14-12-10-8-6-4-2)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/h5,7,10-13,16-17,19-20,22-23,43,46-51,54-56H,3-4,6,8-9,14-15,18,21,24-42H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/p-5/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/t43-,46-,47-,48+,49+,50+,51+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H89O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-44(52)65-41-43(67-45(53)40-38-36-34-32-29-14-12-10-8-6-4-2)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/h5,7,10-13,16-17,19-20,22-23,43,46-51,54-56H,3-4,6,8-9,14-15,18,21,24-42H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/t43-,46-,47-,48+,49+,50+,51+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:44](=[O:52])[O:65][CH2:41][C@H:43]([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])[O:67][C:45]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:53] |
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