| Properties | Image |
|---|
| MNX_ID | MNXM955064 |
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| reference | slm:000647449 |
| formula | C62H111NO9P |
| global charge | -1 |
| mol weight | 1045.542 |
| InChIKey | SHJGOQZFKWTXPU-FPMMNVHISA-M |
| InChI | InChI=1S/C62H112NO9P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-32-36-40-44-48-52-61(65)69-56-59(72-62(66)53-49-45-41-37-33-29-30-34-38-42-46-50-58(3)4)57-71-73(67,68)70-55-54-63-60(64)51-47-43-39-35-31-27-25-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,25,58-59H,5-7,9,11-12,17-18,22-24,26-57H2,1-4H3,(H,63,64)(H,67,68)/p-1/b10-8-,15-13-,16-14-,21-19-,25-20-/t59-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C62H112NO9P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-32-36-40-44-48-52-61(65)69-56-59(72-62(66)53-49-45-41-37-33-29-30-34-38-42-46-50-58(3)4)57-71-73(67,68)70-55-54-63-60(64)51-47-43-39-35-31-27-25-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,25,58-59H,5-7,9,11-12,17-18,22-24,26-57H2,1-4H3,(H,63,64)(H,67,68)/b10-8-,15-13-,16-14-,21-19-,25-20-/t59-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][C:61](=[O:65])[O:69][CH2:56][C@H:59]([CH2:57][O:71][P:73]([OH:67])(=[O:68])[O:70][CH2:55][CH2:54][N:63]=[C:60]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27]/[CH:25]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])[OH:64])[O:72][C:62]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH:58]([CH3:3])[CH3:4])=[O:66] |
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