| Properties | Image |
|---|
| MNX_ID | MNXM336161 |
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| reference | slm:000456297 |
| formula | C53H91O16P2 |
| global charge | -3 |
| mol weight | 1046.243 |
| InChIKey | ULGDUHXKOJRQND-OLZNEQGFSA-K |
| InChI | InChI=1S/C53H94O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-47(55)67-45(43-65-46(54)41-39-37-35-33-31-14-12-10-8-6-4-2)44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62/h10-13,16-17,19-20,22-23,45,48-53,56-59H,3-9,14-15,18,21,24-44H2,1-2H3,(H,63,64)(H2,60,61,62)/p-3/b12-10-,13-11-,17-16-,20-19-,23-22-/t45-,48+,49+,50-,51-,52-,53+/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=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](O)[C@H]1O)OC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H94O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-47(55)67-45(43-65-46(54)41-39-37-35-33-31-14-12-10-8-6-4-2)44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62/h10-13,16-17,19-20,22-23,45,48-53,56-59H,3-9,14-15,18,21,24-44H2,1-2H3,(H,63,64)(H2,60,61,62)/b12-10-,13-11-,17-16-,20-19-,23-22-/t45-,48+,49+,50-,51-,52-,53+/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: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][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:55])[O:67][C@H:45]([CH2:43][O:65][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[CH2:44][O:66][P:71]([OH:63])(=[O:64])[O:69][C@H:53]1[C@H:50]([OH:58])[C@@H:48]([OH:56])[C@H:49]([OH:57])[C@@H:52]([O:68][P:70]([OH:60])([OH:61])=[O:62])[C@H:51]1[OH:59] |
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