| Properties | Image |
|---|
| MNX_ID | MNXM219480 |
 |
| reference | slm:000440196 |
| formula | C55H89O22P4 |
| global charge | -7 |
| mol weight | 1226.191 |
| InChIKey | PSHIZDRTSCWEHV-YRATTWHDSA-G |
| InChI | InChI=1S/C55H96O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)73-47(45-71-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)46-72-81(69,70)77-52-50(58)53(74-78(60,61)62)55(76-80(66,67)68)54(51(52)59)75-79(63,64)65/h11-14,17-20,23-24,28,30,34,36,47,50-55,58-59H,3-10,15-16,21-22,25-27,29,31-33,35,37-46H2,1-2H3,(H,69,70)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/p-7/b13-11-,14-12-,19-17-,20-18-,24-23-,30-28-,36-34-/t47-,50+,51+,52-,53+,54-,55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/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/C55H96O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)73-47(45-71-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)46-72-81(69,70)77-52-50(58)53(74-78(60,61)62)55(76-80(66,67)68)54(51(52)59)75-79(63,64)65/h11-14,17-20,23-24,28,30,34,36,47,50-55,58-59H,3-10,15-16,21-22,25-27,29,31-33,35,37-46H2,1-2H3,(H,69,70)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/b13-11-,14-12-,19-17-,20-18-,24-23-,30-28-,36-34-/t47-,50+,51+,52-,53+,54-,55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:57])[O:73][C@H:47]([CH2:45][O:71][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[CH2:46][O:72][P:81]([OH:69])(=[O:70])[O:77][C@@H:52]1[C@H:50]([OH:58])[C@H:53]([O:74][P:78]([OH:60])([OH:61])=[O:62])[C@@H:55]([O:76][P:80]([OH:66])([OH:67])=[O:68])[C@H:54]([O:75][P:79]([OH:63])([OH:64])=[O:65])[C@H:51]1[OH:59] |
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