| Properties | Image |
|---|
| MNX_ID | MNXM214270 |
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| reference | slm:000031258 |
| formula | C44H80NO8P |
| global charge | 0 |
| mol weight | 782.097 |
| InChIKey | JIFGIQZQCJWIRR-WWBNRHBGSA-N |
| InChI | InChI=1S/C44H80NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-44(47)53-42(40-52-54(48,49)51-38-37-45)39-50-43(46)35-32-29-26-24-21-22-25-28-31-34-41(2)3/h8-9,11-12,14-15,17-18,41-42H,4-7,10,13,16,19-40,45H2,1-3H3,(H,48,49)/b9-8-,12-11-,15-14-,18-17-/t42-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C44H80NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-44(47)53-42(40-52-54(48,49)51-38-37-45)39-50-43(46)35-32-29-26-24-21-22-25-28-31-34-41(2)3/h8-9,11-12,14-15,17-18,41-42H,4-7,10,13,16,19-40,45H2,1-3H3,(H,48,49)/b9-8-,12-11-,15-14-,18-17-/t42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][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][CH2:23][CH2:27][CH2:30][CH2:33][CH2:36][C:44](=[O:47])[O:53][C@H:42]([CH2:39][O:50][C:43]([CH2:35][CH2:32][CH2:29][CH2:26][CH2:24][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH:41]([CH3:2])[CH3:3])=[O:46])[CH2:40][O:52][P:54]([OH:48])(=[O:49])[O:51][CH2:38][CH2:37][NH2:45] |
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