| Properties | Image |
|---|
| MNX_ID | MNXM345122 |
 |
| reference | slm:000450216 |
| formula | C51H88O19P3 |
| global charge | -5 |
| mol weight | 1098.168 |
| InChIKey | PDBWIPAYGIBGEY-IKIKCRBASA-I |
| InChI | InChI=1S/C51H93O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-45(53)67-43(41-65-44(52)39-37-35-33-10-8-6-4-2)42-66-73(63,64)70-51-47(55)49(68-71(57,58)59)46(54)50(48(51)56)69-72(60,61)62/h11-12,14-15,17-18,20-21,43,46-51,54-56H,3-10,13,16,19,22-42H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/p-5/b12-11-,15-14-,18-17-,21-20-/t43-,46-,47-,48-,49-,50+,51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C51H93O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-45(53)67-43(41-65-44(52)39-37-35-33-10-8-6-4-2)42-66-73(63,64)70-51-47(55)49(68-71(57,58)59)46(54)50(48(51)56)69-72(60,61)62/h11-12,14-15,17-18,20-21,43,46-51,54-56H,3-10,13,16,19,22-42H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/b12-11-,15-14-,18-17-,21-20-/t43-,46-,47-,48-,49-,50+,51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:53])[O:67][C@H:43]([CH2:41][O:65][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52])[CH2:42][O:66][P:73]([OH:63])(=[O:64])[O:70][C@@H:51]1[C@H:47]([OH:55])[C@H:49]([O:68][P:71]([OH:57])([OH:58])=[O:59])[C@@H:46]([OH:54])[C@H:50]([O:69][P:72]([OH:60])([OH:61])=[O:62])[C@H:48]1[OH:56] |
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