| Properties | Image |
|---|
| MNX_ID | MNXM185573 |
 |
| reference | slm:000439130 |
| formula | C44H75O22P4 |
| global charge | -7 |
| mol weight | 1079.958 |
| InChIKey | NKMRXEPRLGWLND-ZUJRWFLCSA-G |
| InChI | InChI=1S/C44H82O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-37(45)60-34-36(62-38(46)33-31-29-27-24-14-12-10-8-6-4-2)35-61-70(58,59)66-41-39(47)42(63-67(49,50)51)44(65-69(55,56)57)43(40(41)48)64-68(52,53)54/h11,13,16-17,19-20,36,39-44,47-48H,3-10,12,14-15,18,21-35H2,1-2H3,(H,58,59)(H2,49,50,51)(H2,52,53,54)(H2,55,56,57)/p-7/b13-11-,17-16-,20-19-/t36-,39+,40+,41-,42+,43-,44-/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)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H82O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-37(45)60-34-36(62-38(46)33-31-29-27-24-14-12-10-8-6-4-2)35-61-70(58,59)66-41-39(47)42(63-67(49,50)51)44(65-69(55,56)57)43(40(41)48)64-68(52,53)54/h11,13,16-17,19-20,36,39-44,47-48H,3-10,12,14-15,18,21-35H2,1-2H3,(H,58,59)(H2,49,50,51)(H2,52,53,54)(H2,55,56,57)/b13-11-,17-16-,20-19-/t36-,39+,40+,41-,42+,43-,44-/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:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:45])[O:60][CH2:34][C@H:36]([CH2:35][O:61][P:70]([OH:58])(=[O:59])[O:66][C@@H:41]1[C@H:39]([OH:47])[C@H:42]([O:63][P:67]([OH:49])([OH:50])=[O:51])[C@@H:44]([O:65][P:69]([OH:55])([OH:56])=[O:57])[C@H:43]([O:64][P:68]([OH:52])([OH:53])=[O:54])[C@H:40]1[OH:48])[O:62][C:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46] |
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