| Properties | Image |
|---|
| MNX_ID | MNXM216647 |
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| reference | slm:000472053 |
| formula | C38H63O13P2 |
| global charge | -3 |
| mol weight | 789.857 |
| InChIKey | KIHYSIQSDVWABM-UFBGVRDMSA-K |
| InChI | InChI=1S/C38H66O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-37(40)47-33-36(51-38(41)29-4-2)34-50-53(45,46)49-32-35(39)31-48-52(42,43)44/h5-6,8-9,11-12,14-15,17-18,35-36,39H,3-4,7,10,13,16,19-34H2,1-2H3,(H,45,46)(H2,42,43,44)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-/t35-,36+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C38H66O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-37(40)47-33-36(51-38(41)29-4-2)34-50-53(45,46)49-32-35(39)31-48-52(42,43)44/h5-6,8-9,11-12,14-15,17-18,35-36,39H,3-4,7,10,13,16,19-34H2,1-2H3,(H,45,46)(H2,42,43,44)/b6-5-,9-8-,12-11-,15-14-,18-17-/t35-,36+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][C:37](=[O:40])[O:47][CH2:33][C@H:36]([CH2:34][O:50][P:53]([OH:45])(=[O:46])[O:49][CH2:32][C@H:35]([CH2:31][O:48][P:52]([OH:42])([OH:43])=[O:44])[OH:39])[O:51][C:38]([CH2:29][CH2:4][CH3:2])=[O:41] |
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