| Properties | Image |
|---|
| MNX_ID | MNXM1047354 |
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| reference | slm:000739743 |
| formula | C45H77NO8P |
| global charge | -1 |
| mol weight | 791.084 |
| InChIKey | PWTKCLXXKWGNQA-OXHZBIAZSA-M |
| InChI | InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)52-41-43(47)42-54-55(50,51)53-40-39-46-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43,47H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,46,48)(H,50,51)/p-1/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](O)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)52-41-43(47)42-54-55(50,51)53-40-39-46-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43,47H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,46,48)(H,50,51)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][C:45](=[O:49])[O:52][CH2:41][C@H:43]([CH2:42][O:54][P:55]([OH:50])(=[O:51])[O:53][CH2:40][CH2:39][N:46]=[C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:48])[OH:47] |
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