| Properties | Image |
|---|
| MNX_ID | MNXM234264 |
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| reference | slm:000440651 |
| formula | C50H91O22P4 |
| global charge | -7 |
| mol weight | 1168.152 |
| InChIKey | UNBQTCWYTULHDX-ZWIVTHDKSA-G |
| InChI | InChI=1S/C50H98O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-28-31-34-37-43(51)66-39-42(68-44(52)38-35-32-29-26-23-20-21-24-27-30-33-36-41(2)3)40-67-76(64,65)72-47-45(53)48(69-73(55,56)57)50(71-75(61,62)63)49(46(47)54)70-74(58,59)60/h11-12,41-42,45-50,53-54H,4-10,13-40H2,1-3H3,(H,64,65)(H2,55,56,57)(H2,58,59,60)(H2,61,62,63)/p-7/b12-11-/t42-,45+,46+,47-,48+,49-,50-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C50H98O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-28-31-34-37-43(51)66-39-42(68-44(52)38-35-32-29-26-23-20-21-24-27-30-33-36-41(2)3)40-67-76(64,65)72-47-45(53)48(69-73(55,56)57)50(71-75(61,62)63)49(46(47)54)70-74(58,59)60/h11-12,41-42,45-50,53-54H,4-10,13-40H2,1-3H3,(H,64,65)(H2,55,56,57)(H2,58,59,60)(H2,61,62,63)/b12-11-/t42-,45+,46+,47-,48+,49-,50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][C:43](=[O:51])[O:66][CH2:39][C@H:42]([CH2:40][O:67][P:76]([OH:64])(=[O:65])[O:72][C@@H:47]1[C@H:45]([OH:53])[C@H:48]([O:69][P:73]([OH:55])([OH:56])=[O:57])[C@@H:50]([O:71][P:75]([OH:61])([OH:62])=[O:63])[C@H:49]([O:70][P:74]([OH:58])([OH:59])=[O:60])[C@H:46]1[OH:54])[O:68][C:44]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:21][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH:41]([CH3:2])[CH3:3])=[O:52] |
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