| Properties | Image |
|---|
| MNX_ID | MNXM234272 |
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| reference | slm:000009518 |
| formula | C49H96NO8P |
| global charge | 0 |
| mol weight | 858.28 |
| InChIKey | XLYYKLXMJJNYNK-VFRJARNRSA-N |
| InChI | InChI=1S/C49H96NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-31-34-37-40-48(51)55-44-47(45-57-59(53,54)56-43-42-50(4,5)6)58-49(52)41-38-35-32-29-26-23-24-27-30-33-36-39-46(2)3/h14-15,46-47H,7-13,16-45H2,1-6H3/b15-14-/t47-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C49H96NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-31-34-37-40-48(51)55-44-47(45-57-59(53,54)56-43-42-50(4,5)6)58-49(52)41-38-35-32-29-26-23-24-27-30-33-36-39-46(2)3/h14-15,46-47H,7-13,16-45H2,1-6H3/b15-14-/t47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][C:48](=[O:51])[O:55][CH2:44][C@H:47]([CH2:45][O:57][P:59](=[O:53])([O-:54])[O:56][CH2:43][CH2:42][N+:50]([CH3:4])([CH3:5])[CH3:6])[O:58][C:49]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][CH:46]([CH3:2])[CH3:3])=[O:52] |
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