| Properties | Image |
|---|
| MNX_ID | MNXM314812 |
 |
| reference | slm:000443002 |
| formula | C61H95O22P4 |
| global charge | -7 |
| mol weight | 1304.305 |
| InChIKey | CTGDTKVNKRXERK-DYTOMKAISA-G |
| InChI | InChI=1S/C61H102O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-38-40-42-44-46-48-50-55(63)79-53(51-77-54(62)49-47-45-43-41-39-37-35-33-31-29-24-22-20-18-16-14-12-10-8-6-4-2)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/h5,7,11-14,17-20,23-25,27-29,32-35,53,56-61,64-65H,3-4,6,8-10,15-16,21-22,26,30-31,36-52H2,1-2H3,(H,75,76)(H2,66,67,68)(H2,69,70,71)(H2,72,73,74)/p-7/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,34-32-,35-33-/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\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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/C61H102O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-38-40-42-44-46-48-50-55(63)79-53(51-77-54(62)49-47-45-43-41-39-37-35-33-31-29-24-22-20-18-16-14-12-10-8-6-4-2)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/h5,7,11-14,17-20,23-25,27-29,32-35,53,56-61,64-65H,3-4,6,8-10,15-16,21-22,26,30-31,36-52H2,1-2H3,(H,75,76)(H2,66,67,68)(H2,69,70,71)(H2,72,73,74)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,34-32-,35-33-/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]\[CH2:26]/[CH:27]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:55](=[O:63])[O:79][C@H:53]([CH2:51][O:77][C:54]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:62])[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] |
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