| Properties | Image |
|---|
| MNX_ID | MNXM181874 |
 |
| reference | slm:000426257 |
| formula | C50H84O19P3 |
| global charge | -5 |
| mol weight | 1082.125 |
| InChIKey | UEOIDUCBWXISBS-UWBWAJSJSA-I |
| InChI | InChI=1S/C50H89O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-43(51)64-40-42(66-44(52)39-37-35-33-30-14-12-10-8-6-4-2)41-65-72(62,63)69-48-45(53)46(54)49(67-70(56,57)58)50(47(48)55)68-71(59,60)61/h11,13,16-17,19-20,22-23,25-26,42,45-50,53-55H,3-10,12,14-15,18,21,24,27-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/p-5/b13-11-,17-16-,20-19-,23-22-,26-25-/t42-,45-,46-,47+,48+,49+,50+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/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](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/C50H89O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-43(51)64-40-42(66-44(52)39-37-35-33-30-14-12-10-8-6-4-2)41-65-72(62,63)69-48-45(53)46(54)49(67-70(56,57)58)50(47(48)55)68-71(59,60)61/h11,13,16-17,19-20,22-23,25-26,42,45-50,53-55H,3-10,12,14-15,18,21,24,27-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b13-11-,17-16-,20-19-,23-22-,26-25-/t42-,45-,46-,47+,48+,49+,50+/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]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:51])[O:64][CH2:40][C@H:42]([CH2:41][O:65][P:72]([OH:62])(=[O:63])[O:69][C@H:48]1[C@H:45]([OH:53])[C@@H:46]([OH:54])[C@H:49]([O:67][P:70]([OH:56])([OH:57])=[O:58])[C@@H:50]([O:68][P:71]([OH:59])([OH:60])=[O:61])[C@H:47]1[OH:55])[O:66][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52] |
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