| Properties | Image |
|---|
| MNX_ID | MNXM185443 |
 |
| reference | slm:000439128 |
| formula | C45H77O22P4 |
| global charge | -7 |
| mol weight | 1093.985 |
| InChIKey | MRYVUKLYYSRZTC-HFEVPLBWSA-G |
| InChI | InChI=1S/C45H84O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-23-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h11,13,16-17,19-20,37,40-45,48-49H,3-10,12,14-15,18,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/p-7/b13-11-,17-16-,20-19-/t37-,40+,41+,42-,43+,44-,45-/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)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H84O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-23-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h11,13,16-17,19-20,37,40-45,48-49H,3-10,12,14-15,18,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b13-11-,17-16-,20-19-/t37-,40+,41+,42-,43+,44-,45-/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][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:46])[O:61][CH2:35][C@H:37]([CH2:36][O:62][P:71]([OH:59])(=[O:60])[O:67][C@@H:42]1[C@H:40]([OH:48])[C@H:43]([O:64][P:68]([OH:50])([OH:51])=[O:52])[C@@H:45]([O:66][P:70]([OH:56])([OH:57])=[O:58])[C@H:44]([O:65][P:69]([OH:53])([OH:54])=[O:55])[C@H:41]1[OH:49])[O:63][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47] |
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