| Properties | Image |
|---|
| MNX_ID | MNXM343840 |
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| reference | slm:000035030 |
| formula | C45H80NO8P |
| global charge | 0 |
| mol weight | 794.108 |
| InChIKey | VTAASHSFEQHUON-MANUGYIFSA-N |
| InChI | InChI=1S/C45H80NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-45(48)54-43(41-51-44(47)37-4-2)42-53-55(49,50)52-40-39-46/h5-6,8-9,11-12,14-15,17-18,43H,3-4,7,10,13,16,19-42,46H2,1-2H3,(H,49,50)/b6-5-,9-8-,12-11-,15-14-,18-17-/t43-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C45H80NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-45(48)54-43(41-51-44(47)37-4-2)42-53-55(49,50)52-40-39-46/h5-6,8-9,11-12,14-15,17-18,43H,3-4,7,10,13,16,19-42,46H2,1-2H3,(H,49,50)/b6-5-,9-8-,12-11-,15-14-,18-17-/t43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][C:45](=[O:48])[O:54][C@H:43]([CH2:41][O:51][C:44]([CH2:37][CH2:4][CH3:2])=[O:47])[CH2:42][O:53][P:55]([OH:49])(=[O:50])[O:52][CH2:40][CH2:39][NH2:46] |
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