| Properties | Image |
|---|
| MNX_ID | MNXM185155 |
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| reference | slm:000439122 |
| formula | C59H105O22P4 |
| global charge | -7 |
| mol weight | 1290.363 |
| InChIKey | QCIUXPSSAGAHGZ-KPIHVWFHSA-G |
| InChI | InChI=1S/C59H112O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-53(61)77-51(49-75-52(60)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2)50-76-85(73,74)81-56-54(62)57(78-82(64,65)66)59(80-84(70,71)72)58(55(56)63)79-83(67,68)69/h12,14,18,20,29,31,51,54-59,62-63H,3-11,13,15-17,19,21-28,30,32-50H2,1-2H3,(H,73,74)(H2,64,65,66)(H2,67,68,69)(H2,70,71,72)/p-7/b14-12-,20-18-,31-29-/t51-,54+,55+,56-,57+,58-,59-/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)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H112O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-53(61)77-51(49-75-52(60)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2)50-76-85(73,74)81-56-54(62)57(78-82(64,65)66)59(80-84(70,71)72)58(55(56)63)79-83(67,68)69/h12,14,18,20,29,31,51,54-59,62-63H,3-11,13,15-17,19,21-28,30,32-50H2,1-2H3,(H,73,74)(H2,64,65,66)(H2,67,68,69)(H2,70,71,72)/b14-12-,20-18-,31-29-/t51-,54+,55+,56-,57+,58-,59-/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][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:61])[O:77][C@H:51]([CH2:49][O:75][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33]/[CH:31]=[CH:29]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60])[CH2:50][O:76][P:85]([OH:73])(=[O:74])[O:81][C@@H:56]1[C@H:54]([OH:62])[C@H:57]([O:78][P:82]([OH:64])([OH:65])=[O:66])[C@@H:59]([O:80][P:84]([OH:70])([OH:71])=[O:72])[C@H:58]([O:79][P:83]([OH:67])([OH:68])=[O:69])[C@H:55]1[OH:63] |
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