| Properties | Image |
|---|
| MNX_ID | MNXM185508 |
 |
| reference | slm:000439129 |
| formula | C61H109O22P4 |
| global charge | -7 |
| mol weight | 1318.417 |
| InChIKey | HLICZTRHBOLTMI-RNWGJLNJSA-G |
| InChI | InChI=1S/C61H116O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-55(63)79-53(51-77-54(62)49-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2)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/h12,14,18,20,31,33,53,56-61,64-65H,3-11,13,15-17,19,21-30,32,34-52H2,1-2H3,(H,75,76)(H2,66,67,68)(H2,69,70,71)(H2,72,73,74)/p-7/b14-12-,20-18-,33-31-/t53-,56+,57+,58-,59+,60-,61-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H116O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-55(63)79-53(51-77-54(62)49-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2)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/h12,14,18,20,31,33,53,56-61,64-65H,3-11,13,15-17,19,21-30,32,34-52H2,1-2H3,(H,75,76)(H2,66,67,68)(H2,69,70,71)(H2,72,73,74)/b14-12-,20-18-,33-31-/t53-,56+,57+,58-,59+,60-,61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][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][CH2:35]/[CH:33]=[CH:31]\[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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