| Properties | Image |
|---|
| MNX_ID | MNXM236472 |
 |
| reference | slm:000031987 |
| formula | C48H94NO8P |
| global charge | 0 |
| mol weight | 844.253 |
| InChIKey | PMDQUAJTVBQTCL-VGURBHAXSA-N |
| InChI | InChI=1S/C48H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49)57-48(51)41-39-37-35-33-31-29-26-20-18-16-14-12-10-8-6-4-2/h17,19,46H,3-16,18,20-45,49H2,1-2H3,(H,52,53)/b19-17-/t46-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49)57-48(51)41-39-37-35-33-31-29-26-20-18-16-14-12-10-8-6-4-2/h17,19,46H,3-16,18,20-45,49H2,1-2H3,(H,52,53)/b19-17-/t46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:47](=[O:50])[O:54][CH2:44][C@H:46]([CH2:45][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:43][CH2:42][NH2:49])[O:57][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51] |
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