| Properties | Image |
|---|
| MNX_ID | MNXM315554 |
 |
| reference | slm:000455819 |
| formula | C55H95O16P2 |
| global charge | -3 |
| mol weight | 1074.297 |
| InChIKey | FBIFEQYTNXWFOU-PLBZTVTPSA-K |
| InChI | InChI=1S/C55H98O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(56)67-45-47(46-68-73(65,66)71-55-52(60)50(58)51(59)54(53(55)61)70-72(62,63)64)69-49(57)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-24,27,29,47,50-55,58-61H,3-10,12,14-16,21-22,25-26,28,30-46H2,1-2H3,(H,65,66)(H2,62,63,64)/p-3/b13-11-,19-17-,20-18-,24-23-,29-27-/t47-,50+,51+,52-,53-,54-,55+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/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)CCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H98O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(56)67-45-47(46-68-73(65,66)71-55-52(60)50(58)51(59)54(53(55)61)70-72(62,63)64)69-49(57)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-24,27,29,47,50-55,58-61H,3-10,12,14-16,21-22,25-26,28,30-46H2,1-2H3,(H,65,66)(H2,62,63,64)/b13-11-,19-17-,20-18-,24-23-,29-27-/t47-,50+,51+,52-,53-,54-,55+/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]\[CH2:26]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:67][CH2:45][C@H:47]([CH2:46][O:68][P:73]([OH:65])(=[O:66])[O:71][C@H:55]1[C@H:52]([OH:60])[C@@H:50]([OH:58])[C@H:51]([OH:59])[C@@H:54]([O:70][P:72]([OH:62])([OH:63])=[O:64])[C@H:53]1[OH:61])[O:69][C:49]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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