| Properties | Image |
|---|
| MNX_ID | MNXM182672 |
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| reference | slm:000030356 |
| formula | C44H82NO8P |
| global charge | 0 |
| mol weight | 784.113 |
| InChIKey | RCRRFXPYPAVYLF-QPASOJLCSA-N |
| InChI | InChI=1S/C44H82NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-43(46)50-39-42(40-52-54(48,49)51-38-37-45)53-44(47)36-33-30-27-24-21-18-19-22-25-28-31-34-41(2)3/h8-9,11-12,14-15,41-42H,4-7,10,13,16-40,45H2,1-3H3,(H,48,49)/b9-8-,12-11-,15-14-/t42-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C44H82NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-43(46)50-39-42(40-52-54(48,49)51-38-37-45)53-44(47)36-33-30-27-24-21-18-19-22-25-28-31-34-41(2)3/h8-9,11-12,14-15,41-42H,4-7,10,13,16-40,45H2,1-3H3,(H,48,49)/b9-8-,12-11-,15-14-/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][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][C:43](=[O:46])[O:50][CH2:39][C@H:42]([CH2:40][O:52][P:54]([OH:48])(=[O:49])[O:51][CH2:38][CH2:37][NH2:45])[O:53][C:44]([CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH:41]([CH3:2])[CH3:3])=[O:47] |
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