| Properties | Image |
|---|
| MNX_ID | MNXM956962 |
 |
| reference | slm:000649347 |
| formula | C55H97NO9P |
| global charge | -1 |
| mol weight | 947.353 |
| InChIKey | LNBKOOUUVSYVCB-XBPKCFRNSA-M |
| InChI | InChI=1S/C55H98NO9P/c1-4-7-10-13-15-17-19-21-23-25-26-28-30-32-34-36-38-41-44-47-55(59)65-52(51-64-66(60,61)63-49-48-56-53(57)45-42-39-12-9-6-3)50-62-54(58)46-43-40-37-35-33-31-29-27-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,29,31,52H,4-14,19-20,25-28,30,32-51H2,1-3H3,(H,56,57)(H,60,61)/p-1/b17-15-,18-16-,23-21-,24-22-,31-29-/t52-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H98NO9P/c1-4-7-10-13-15-17-19-21-23-25-26-28-30-32-34-36-38-41-44-47-55(59)65-52(51-64-66(60,61)63-49-48-56-53(57)45-42-39-12-9-6-3)50-62-54(58)46-43-40-37-35-33-31-29-27-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,29,31,52H,4-14,19-20,25-28,30,32-51H2,1-3H3,(H,56,57)(H,60,61)/b17-15-,18-16-,23-21-,24-22-,31-29-/t52-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][C:55](=[O:59])[O:65][C@H:52]([CH2:50][O:62][C:54]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:35][CH2:33]/[CH:31]=[CH:29]\[CH2:27]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58])[CH2:51][O:64][P:66]([OH:60])(=[O:61])[O:63][CH2:49][CH2:48][N:56]=[C:53]([CH2:45][CH2:42][CH2:39][CH2:12][CH2:9][CH2:6][CH3:3])[OH:57] |
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