| Properties | Image |
|---|
| MNX_ID | MNXM357333 |
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| reference | slm:000456938 |
| formula | C66H119O16P2 |
| global charge | -3 |
| mol weight | 1230.61 |
| InChIKey | BXJUKGMBCSELLW-INHFQEBPSA-K |
| InChI | InChI=1S/C66H122O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-55-60(68)80-58(57-79-84(76,77)82-66-63(71)61(69)62(70)65(64(66)72)81-83(73,74)75)56-78-59(67)54-52-50-48-46-44-42-40-38-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,58,61-66,69-72H,3-10,12,14-16,18,20-22,25,28-57H2,1-2H3,(H,76,77)(H2,73,74,75)/p-3/b13-11-,19-17-,24-23-,27-26-/t58-,61+,62+,63-,64-,65-,66+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C66H122O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-55-60(68)80-58(57-79-84(76,77)82-66-63(71)61(69)62(70)65(64(66)72)81-83(73,74)75)56-78-59(67)54-52-50-48-46-44-42-40-38-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,58,61-66,69-72H,3-10,12,14-16,18,20-22,25,28-57H2,1-2H3,(H,76,77)(H2,73,74,75)/b13-11-,19-17-,24-23-,27-26-/t58-,61+,62+,63-,64-,65-,66+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][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][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:60](=[O:68])[O:80][C@H:58]([CH2:56][O:78][C:59]([CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:67])[CH2:57][O:79][P:84]([OH:76])(=[O:77])[O:82][C@H:66]1[C@H:63]([OH:71])[C@@H:61]([OH:69])[C@H:62]([OH:70])[C@@H:65]([O:81][P:83]([OH:73])([OH:74])=[O:75])[C@H:64]1[OH:72] |
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