| Properties | Image |
|---|
| MNX_ID | MNXM357732 |
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| reference | slm:000431354 |
| formula | C54H92O19P3 |
| global charge | -5 |
| mol weight | 1138.233 |
| InChIKey | CPHRAITVQQUUOK-XPKLLUEKSA-I |
| InChI | InChI=1S/C54H97O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-29-31-33-35-37-39-41-43-48(56)70-46(44-68-47(55)42-40-38-36-34-32-30-28-26-22-20-18-16-14-12-10-8-6-4-2)45-69-76(66,67)73-52-49(57)50(58)53(71-74(60,61)62)54(51(52)59)72-75(63,64)65/h11,13,17,19,23-24,27,29,33,35,46,49-54,57-59H,3-10,12,14-16,18,20-22,25-26,28,30-32,34,36-45H2,1-2H3,(H,66,67)(H2,60,61,62)(H2,63,64,65)/p-5/b13-11-,19-17-,24-23-,29-27-,35-33-/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\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C54H97O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-29-31-33-35-37-39-41-43-48(56)70-46(44-68-47(55)42-40-38-36-34-32-30-28-26-22-20-18-16-14-12-10-8-6-4-2)45-69-76(66,67)73-52-49(57)50(58)53(71-74(60,61)62)54(51(52)59)72-75(63,64)65/h11,13,17,19,23-24,27,29,33,35,46,49-54,57-59H,3-10,12,14-16,18,20-22,25-26,28,30-32,34,36-45H2,1-2H3,(H,66,67)(H2,60,61,62)(H2,63,64,65)/b13-11-,19-17-,24-23-,29-27-,35-33-/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:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:70][C@H:46]([CH2:44][O:68][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55])[CH2:45][O:69][P:76]([OH:66])(=[O:67])[O:73][C@H:52]1[C@H:49]([OH:57])[C@@H:50]([OH:58])[C@H:53]([O:71][P:74]([OH:60])([OH:61])=[O:62])[C@@H:54]([O:72][P:75]([OH:63])([OH:64])=[O:65])[C@H:51]1[OH:59] |
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