| Properties | Image |
|---|
| MNX_ID | MNXM212942 |
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| reference | slm:000439944 |
| formula | C56H95O22P4 |
| global charge | -7 |
| mol weight | 1244.25 |
| InChIKey | GSEWRFDXFNGANR-FVIVGLPYSA-G |
| InChI | InChI=1S/C56H102O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-35-38-41-44-50(58)74-48(45-72-49(57)43-40-37-34-32-29-30-33-36-39-42-47(2)3)46-73-82(70,71)78-53-51(59)54(75-79(61,62)63)56(77-81(67,68)69)55(52(53)60)76-80(64,65)66/h5-6,8-9,11-12,14-15,17-18,47-48,51-56,59-60H,4,7,10,13,16,19-46H2,1-3H3,(H,70,71)(H2,61,62,63)(H2,64,65,66)(H2,67,68,69)/p-7/b6-5-,9-8-,12-11-,15-14-,18-17-/t48-,51+,52+,53-,54+,55-,56-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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/C56H102O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-35-38-41-44-50(58)74-48(45-72-49(57)43-40-37-34-32-29-30-33-36-39-42-47(2)3)46-73-82(70,71)78-53-51(59)54(75-79(61,62)63)56(77-81(67,68)69)55(52(53)60)76-80(64,65)66/h5-6,8-9,11-12,14-15,17-18,47-48,51-56,59-60H,4,7,10,13,16,19-46H2,1-3H3,(H,70,71)(H2,61,62,63)(H2,64,65,66)(H2,67,68,69)/b6-5-,9-8-,12-11-,15-14-,18-17-/t48-,51+,52+,53-,54+,55-,56-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:31][CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:58])[O:74][C@H:48]([CH2:45][O:72][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:32][CH2:29][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH:47]([CH3:2])[CH3:3])=[O:57])[CH2:46][O:73][P:82]([OH:70])(=[O:71])[O:78][C@@H:53]1[C@H:51]([OH:59])[C@H:54]([O:75][P:79]([OH:61])([OH:62])=[O:63])[C@@H:56]([O:77][P:81]([OH:67])([OH:68])=[O:69])[C@H:55]([O:76][P:80]([OH:64])([OH:65])=[O:66])[C@H:52]1[OH:60] |
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