| Properties | Image |
|---|
| MNX_ID | MNXM217887 |
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| reference | slm:000440143 |
| formula | C58H101O22P4 |
| global charge | -7 |
| mol weight | 1274.32 |
| InChIKey | NFEFZOCVDNHDST-QDMRUOAOSA-G |
| InChI | InChI=1S/C58H108O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-46-51(59)74-48-50(76-52(60)47-45-43-41-39-37-35-33-30-22-20-18-16-14-12-10-8-6-4-2)49-75-84(72,73)80-55-53(61)56(77-81(63,64)65)58(79-83(69,70)71)57(54(55)62)78-82(66,67)68/h11,13,17,19,23-24,26-27,50,53-58,61-62H,3-10,12,14-16,18,20-22,25,28-49H2,1-2H3,(H,72,73)(H2,63,64,65)(H2,66,67,68)(H2,69,70,71)/p-7/b13-11-,19-17-,24-23-,27-26-/t50-,53+,54+,55-,56+,57-,58-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H108O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-46-51(59)74-48-50(76-52(60)47-45-43-41-39-37-35-33-30-22-20-18-16-14-12-10-8-6-4-2)49-75-84(72,73)80-55-53(61)56(77-81(63,64)65)58(79-83(69,70)71)57(54(55)62)78-82(66,67)68/h11,13,17,19,23-24,26-27,50,53-58,61-62H,3-10,12,14-16,18,20-22,25,28-49H2,1-2H3,(H,72,73)(H2,63,64,65)(H2,66,67,68)(H2,69,70,71)/b13-11-,19-17-,24-23-,27-26-/t50-,53+,54+,55-,56+,57-,58-/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][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:51](=[O:59])[O:74][CH2:48][C@H:50]([CH2:49][O:75][P:84]([OH:72])(=[O:73])[O:80][C@@H:55]1[C@H:53]([OH:61])[C@H:56]([O:77][P:81]([OH:63])([OH:64])=[O:65])[C@@H:58]([O:79][P:83]([OH:69])([OH:70])=[O:71])[C@H:57]([O:78][P:82]([OH:66])([OH:67])=[O:68])[C@H:54]1[OH:62])[O:76][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60] |
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