| Properties | Image |
MNX_ID | MNXM193273 |
 |
reference | slm:000030581 |
formula | C51H86NO8P |
global charge | 0 |
mol weight | 872.222 |
InChIKey | GGLWTTOJVUPUQU-KWCTZENCSA-N |
InChI | InChI=1S/C51H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,49H,3-4,9-10,15-16,21,24,27-48,52H2,1-2H3,(H,55,56)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t49-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
InChI (mnx) | InChI=1/C51H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,49H,3-4,9-10,15-16,21,24,27-48,52H2,1-2H3,(H,55,56)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t49-/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:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:50](=[O:53])[O:57][CH2:47][C@H:49]([CH2:48][O:59][P:61]([OH:55])(=[O:56])[O:58][CH2:46][CH2:45][NH2:52])[O:60][C:51]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:54] |
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