| Properties | Image |
|---|
| MNX_ID | MNXM225946 |
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| reference | slm:000015706 |
| formula | C62H108O13P |
| global charge | -1 |
| mol weight | 1092.507 |
| InChIKey | BUGPRVGGCARCOW-JPUWJWHZSA-M |
| InChI | InChI=1S/C62H109O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-55(63)72-52-54(53-73-76(70,71)75-62-60(68)58(66)57(65)59(67)61(62)69)74-56(64)51-49-47-45-43-41-39-37-34-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23-24,26-27,29-30,54,57-62,65-69H,3-4,6,8-10,12,14-16,18,20-22,25,28,31-53H2,1-2H3,(H,70,71)/p-1/b7-5-,13-11-,19-17-,24-23-,27-26-,30-29-/t54-,57-,58-,59+,60-,61-,62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H109O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-55(63)72-52-54(53-73-76(70,71)75-62-60(68)58(66)57(65)59(67)61(62)69)74-56(64)51-49-47-45-43-41-39-37-34-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23-24,26-27,29-30,54,57-62,65-69H,3-4,6,8-10,12,14-16,18,20-22,25,28,31-53H2,1-2H3,(H,70,71)/b7-5-,13-11-,19-17-,24-23-,27-26-,30-29-/t54-,57-,58-,59+,60-,61-,62-/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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:55](=[O:63])[O:72][CH2:52][C@H:54]([CH2:53][O:73][P:76]([OH:70])(=[O:71])[O:75][C@@H:62]1[C@H:60]([OH:68])[C@H:58]([OH:66])[C@@H:57]([OH:65])[C@H:59]([OH:67])[C@H:61]1[OH:69])[O:74][C:56]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:34][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:64] |
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