| Properties | Image |
|---|
| MNX_ID | MNXM357731 |
 |
| reference | slm:000444148 |
| formula | C54H91O22P4 |
| global charge | -7 |
| mol weight | 1216.196 |
| InChIKey | SAMNMHZXZBMEER-RSDBTXKZSA-G |
| InChI | InChI=1S/C54H98O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-29-31-33-35-37-39-41-43-48(56)72-46(44-70-47(55)42-40-38-36-34-32-30-28-26-22-20-18-16-14-12-10-8-6-4-2)45-71-80(68,69)76-51-49(57)52(73-77(59,60)61)54(75-79(65,66)67)53(50(51)58)74-78(62,63)64/h11,13,17,19,23-24,27,29,33,35,46,49-54,57-58H,3-10,12,14-16,18,20-22,25-26,28,30-32,34,36-45H2,1-2H3,(H,68,69)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)/p-7/b13-11-,19-17-,24-23-,29-27-,35-33-/t46-,49+,50+,51-,52+,53-,54-/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)CCCCCCCCCCCCCCCCCCCC)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/C54H98O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-29-31-33-35-37-39-41-43-48(56)72-46(44-70-47(55)42-40-38-36-34-32-30-28-26-22-20-18-16-14-12-10-8-6-4-2)45-71-80(68,69)76-51-49(57)52(73-77(59,60)61)54(75-79(65,66)67)53(50(51)58)74-78(62,63)64/h11,13,17,19,23-24,27,29,33,35,46,49-54,57-58H,3-10,12,14-16,18,20-22,25-26,28,30-32,34,36-45H2,1-2H3,(H,68,69)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)/b13-11-,19-17-,24-23-,29-27-,35-33-/t46-,49+,50+,51-,52+,53-,54-/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]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:72][C@H:46]([CH2:44][O:70][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55])[CH2:45][O:71][P:80]([OH:68])(=[O:69])[O:76][C@@H:51]1[C@H:49]([OH:57])[C@H:52]([O:73][P:77]([OH:59])([OH:60])=[O:61])[C@@H:54]([O:75][P:79]([OH:65])([OH:66])=[O:67])[C@H:53]([O:74][P:78]([OH:62])([OH:63])=[O:64])[C@H:50]1[OH:58] |
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