| Properties | Image |
|---|
| MNX_ID | MNXM216362 |
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| reference | slm:000002323 |
| formula | C58H93NO10P |
| global charge | -1 |
| mol weight | 995.353 |
| InChIKey | BCJBSQSAMDNHSY-KZSMZZOXSA-M |
| InChI | InChI=1S/C58H94NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-31-33-35-37-39-41-43-45-47-49-56(60)66-51-54(52-67-70(64,65)68-53-55(59)58(62)63)69-57(61)50-48-46-44-42-40-38-36-34-32-29-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-25,27-29,34,36,40,42,54-55H,3-4,6,8-10,15-16,21-22,26,30-33,35,37-39,41,43-53,59H2,1-2H3,(H,62,63)(H,64,65)/p-1/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,36-34-,42-40-/t54-,55+/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-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H94NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-31-33-35-37-39-41-43-45-47-49-56(60)66-51-54(52-67-70(64,65)68-53-55(59)58(62)63)69-57(61)50-48-46-44-42-40-38-36-34-32-29-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-25,27-29,34,36,40,42,54-55H,3-4,6,8-10,15-16,21-22,26,30-33,35,37-39,41,43-53,59H2,1-2H3,(H,62,63)(H,64,65)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,36-34-,42-40-/t54-,55+/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]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:56](=[O:60])[O:66][CH2:51][C@H:54]([CH2:52][O:67][P:70]([OH:64])(=[O:65])[O:68][CH2:53][C@@H:55]([C:58](=[O:62])[OH:63])[NH2:59])[O:69][C:57]([CH2:50][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:29]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:61] |
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