| Properties | Image |
|---|
| MNX_ID | MNXM227317 |
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| reference | slm:000492478 |
| formula | C54H93O16P2 |
| global charge | -3 |
| mol weight | 1060.27 |
| InChIKey | DMZQTHRNPLEHDC-VQQDCQJKSA-K |
| InChI | InChI=1S/C54H96O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-47(55)66-44-46(68-48(56)43-41-39-37-34-14-12-10-8-6-4-2)45-67-72(64,65)70-54-51(59)49(57)50(58)53(52(54)60)69-71(61,62)63/h11,13,16-17,19-20,22-23,25-26,46,49-54,57-60H,3-10,12,14-15,18,21,24,27-45H2,1-2H3,(H,64,65)(H2,61,62,63)/p-3/b13-11-,17-16-,20-19-,23-22-,26-25-/t46-,49-,50-,51-,52-,53+,54-/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](O)[C@H]1O)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-47(55)66-44-46(68-48(56)43-41-39-37-34-14-12-10-8-6-4-2)45-67-72(64,65)70-54-51(59)49(57)50(58)53(52(54)60)69-71(61,62)63/h11,13,16-17,19-20,22-23,25-26,46,49-54,57-60H,3-10,12,14-15,18,21,24,27-45H2,1-2H3,(H,64,65)(H2,61,62,63)/b13-11-,17-16-,20-19-,23-22-,26-25-/t46-,49-,50-,51-,52-,53+,54-/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]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:55])[O:66][CH2:44][C@H:46]([CH2:45][O:67][P:72]([OH:64])(=[O:65])[O:70][C@@H:54]1[C@H:51]([OH:59])[C@H:49]([OH:57])[C@@H:50]([OH:58])[C@H:53]([O:69][P:71]([OH:61])([OH:62])=[O:63])[C@H:52]1[OH:60])[O:68][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:34][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56] |
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