| Properties | Image |
|---|
| MNX_ID | MNXM215944 |
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| reference | slm:000031298 |
| formula | C63H106NO8P |
| global charge | 0 |
| mol weight | 1036.514 |
| InChIKey | METSBQNRDPOVCW-STZBLNFBSA-N |
| InChI | InChI=1S/C63H106NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-50-52-54-56-63(66)72-61(60-71-73(67,68)70-58-57-64)59-69-62(65)55-53-51-49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-31,33-34,36,61H,3-5,7,9-10,15-16,21-22,27-28,32,35,37-60,64H2,1-2H3,(H,67,68)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,33-31-,36-34-/t61-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H106NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-50-52-54-56-63(66)72-61(60-71-73(67,68)70-58-57-64)59-69-62(65)55-53-51-49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-31,33-34,36,61H,3-5,7,9-10,15-16,21-22,27-28,32,35,37-60,64H2,1-2H3,(H,67,68)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,33-31-,36-34-/t61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:63](=[O:66])[O:72][C@H:61]([CH2:59][O:69][C:62]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:65])[CH2:60][O:71][P:73]([OH:67])(=[O:68])[O:70][CH2:58][CH2:57][NH2:64] |
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