| Properties | Image |
|---|
| MNX_ID | MNXM179934 |
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| reference | slm:000014245 |
| formula | C63H108O13P |
| global charge | -1 |
| mol weight | 1104.518 |
| InChIKey | UZXUEHZDNXCGLE-SGRYKGKYSA-M |
| InChI | InChI=1S/C63H109O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-31-33-35-37-39-41-43-45-47-49-51-56(64)73-53-55(54-74-77(71,72)76-63-61(69)59(67)58(66)60(68)62(63)70)75-57(65)52-50-48-46-44-42-40-38-36-34-32-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,28,30,33,35,55,58-63,66-70H,3-4,6,8-10,12,14-16,21-22,24,26-27,29,31-32,34,36-54H2,1-2H3,(H,71,72)/p-1/b7-5-,13-11-,19-17-,20-18-,25-23-,30-28-,35-33-/t55-,58-,59-,60+,61-,62-,63-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H109O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-31-33-35-37-39-41-43-45-47-49-51-56(64)73-53-55(54-74-77(71,72)76-63-61(69)59(67)58(66)60(68)62(63)70)75-57(65)52-50-48-46-44-42-40-38-36-34-32-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,28,30,33,35,55,58-63,66-70H,3-4,6,8-10,12,14-16,21-22,24,26-27,29,31-32,34,36-54H2,1-2H3,(H,71,72)/b7-5-,13-11-,19-17-,20-18-,25-23-,30-28-,35-33-/t55-,58-,59-,60+,61-,62-,63-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:30]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:56](=[O:64])[O:73][CH2:53][C@H:55]([CH2:54][O:74][P:77]([OH:71])(=[O:72])[O:76][C@@H:63]1[C@H:61]([OH:69])[C@H:59]([OH:67])[C@@H:58]([OH:66])[C@H:60]([OH:68])[C@H:62]1[OH:70])[O:75][C:57]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:65] |
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