| Properties | Image |
|---|
| MNX_ID | MNXM299193 |
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| reference | slm:000442594 |
| formula | C61H103O22P4 |
| global charge | -7 |
| mol weight | 1312.369 |
| InChIKey | JVVPKHYKLVZUIQ-AYEYVACHSA-G |
| InChI | InChI=1S/C61H110O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-54(62)77-51-53(79-55(63)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)52-78-87(75,76)83-58-56(64)59(80-84(66,67)68)61(82-86(72,73)74)60(57(58)65)81-85(69,70)71/h5,7,11,13,17,19,23,25,29,31,35,37,53,56-61,64-65H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-52H2,1-2H3,(H,75,76)(H2,66,67,68)(H2,69,70,71)(H2,72,73,74)/p-7/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-/t53-,56+,57+,58-,59+,60-,61-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H110O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-54(62)77-51-53(79-55(63)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)52-78-87(75,76)83-58-56(64)59(80-84(66,67)68)61(82-86(72,73)74)60(57(58)65)81-85(69,70)71/h5,7,11,13,17,19,23,25,29,31,35,37,53,56-61,64-65H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-52H2,1-2H3,(H,75,76)(H2,66,67,68)(H2,69,70,71)(H2,72,73,74)/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-/t53-,56+,57+,58-,59+,60-,61-/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:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:54](=[O:62])[O:77][CH2:51][C@H:53]([CH2:52][O:78][P:87]([OH:75])(=[O:76])[O:83][C@@H:58]1[C@H:56]([OH:64])[C@H:59]([O:80][P:84]([OH:66])([OH:67])=[O:68])[C@@H:61]([O:82][P:86]([OH:72])([OH:73])=[O:74])[C@H:60]([O:81][P:85]([OH:69])([OH:70])=[O:71])[C@H:57]1[OH:65])[O:79][C:55]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][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:63] |
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