| Properties | Image |
|---|
| MNX_ID | MNXM211816 |
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| reference | slm:000433514 |
| formula | C65H115O16P2 |
| global charge | -3 |
| mol weight | 1214.567 |
| InChIKey | ABJZFAOBGRMXQD-XEQKABSKSA-K |
| InChI | InChI=1S/C65H118O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-33-35-37-39-41-43-45-47-49-51-53-58(66)77-55-57(56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74)79-59(67)54-52-50-48-46-44-42-40-38-36-34-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,28-29,32-33,57,60-65,68-71H,3-10,12,14-16,18,20-22,24,26-27,30-31,34-56H2,1-2H3,(H,75,76)(H2,72,73,74)/p-3/b13-11-,19-17-,25-23-,29-28-,33-32-/t57-,60-,61-,62-,63-,64+,65-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H118O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-33-35-37-39-41-43-45-47-49-51-53-58(66)77-55-57(56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74)79-59(67)54-52-50-48-46-44-42-40-38-36-34-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,28-29,32-33,57,60-65,68-71H,3-10,12,14-16,18,20-22,24,26-27,30-31,34-56H2,1-2H3,(H,75,76)(H2,72,73,74)/b13-11-,19-17-,25-23-,29-28-,33-32-/t57-,60-,61-,62-,63-,64+,65-/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:25]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:32]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:58](=[O:66])[O:77][CH2:55][C@H:57]([CH2:56][O:78][P:83]([OH:75])(=[O:76])[O:81][C@@H:65]1[C@H:62]([OH:70])[C@H:60]([OH:68])[C@@H:61]([OH:69])[C@H:64]([O:80][P:82]([OH:72])([OH:73])=[O:74])[C@H:63]1[OH:71])[O:79][C:59]([CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:31][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:67] |
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