| Properties | Image |
|---|
| MNX_ID | MNXM329667 |
 |
| reference | slm:000492985 |
| formula | C59H99O22P4 |
| global charge | -7 |
| mol weight | 1284.315 |
| InChIKey | VCLHTZMVEVNSSD-VCSDMAQGSA-G |
| InChI | InChI=1S/C59H106O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-53(61)77-51(49-75-52(60)47-45-43-41-39-37-35-16-14-12-10-8-6-4-2)50-76-85(73,74)81-56-54(62)57(78-82(64,65)66)59(80-84(70,71)72)58(55(56)63)79-83(67,68)69/h11,13-14,16-18,20-21,23-24,26-27,51,54-59,62-63H,3-10,12,15,19,22,25,28-50H2,1-2H3,(H,73,74)(H2,64,65,66)(H2,67,68,69)(H2,70,71,72)/p-7/b13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t51-,54+,55+,56-,57+,58-,59-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C59H106O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-53(61)77-51(49-75-52(60)47-45-43-41-39-37-35-16-14-12-10-8-6-4-2)50-76-85(73,74)81-56-54(62)57(78-82(64,65)66)59(80-84(70,71)72)58(55(56)63)79-83(67,68)69/h11,13-14,16-18,20-21,23-24,26-27,51,54-59,62-63H,3-10,12,15,19,22,25,28-50H2,1-2H3,(H,73,74)(H2,64,65,66)(H2,67,68,69)(H2,70,71,72)/b13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t51-,54+,55+,56-,57+,58-,59-/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:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:61])[O:77][C@H:51]([CH2:49][O:75][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60])[CH2:50][O:76][P:85]([OH:73])(=[O:74])[O:81][C@@H:56]1[C@H:54]([OH:62])[C@H:57]([O:78][P:82]([OH:64])([OH:65])=[O:66])[C@@H:59]([O:80][P:84]([OH:70])([OH:71])=[O:72])[C@H:58]([O:79][P:83]([OH:67])([OH:68])=[O:69])[C@H:55]1[OH:63] |
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