| Properties | Image |
|---|
| MNX_ID | MNXM216568 |
 |
| reference | slm:000452853 |
| formula | C53H87O16P2 |
| global charge | -3 |
| mol weight | 1042.211 |
| InChIKey | JQTOOWCZPRAYSS-BOSAYZDWSA-K |
| InChI | InChI=1S/C53H90O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-46(54)65-43-45(67-47(55)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2)44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62/h5,7-8,10-11,13-14,16-18,20-21,23-24,45,48-53,56-59H,3-4,6,9,12,15,19,22,25-44H2,1-2H3,(H,63,64)(H2,60,61,62)/p-3/b7-5-,10-8-,13-11-,16-14-,18-17-,21-20-,24-23-/t45-,48+,49+,50-,51-,52-,53+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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)CCCCCCC/C=C\C/C=C\CCC |
MNX internals
| InChI (mnx) | InChI=1/C53H90O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-46(54)65-43-45(67-47(55)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2)44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62/h5,7-8,10-11,13-14,16-18,20-21,23-24,45,48-53,56-59H,3-4,6,9,12,15,19,22,25-44H2,1-2H3,(H,63,64)(H2,60,61,62)/b7-5-,10-8-,13-11-,16-14-,18-17-,21-20-,24-23-/t45-,48+,49+,50-,51-,52-,53+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:54])[O:65][CH2:43][C@H:45]([CH2:44][O:66][P:71]([OH:63])(=[O:64])[O:69][C@H:53]1[C@H:50]([OH:58])[C@@H:48]([OH:56])[C@H:49]([OH:57])[C@@H:52]([O:68][P:70]([OH:60])([OH:61])=[O:62])[C@H:51]1[OH:59])[O:67][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:55] |
|