| Properties | Image |
|---|
| MNX_ID | MNXM955106 |
 |
| reference | slm:000647491 |
| formula | C62H111NO9P |
| global charge | -1 |
| mol weight | 1045.542 |
| InChIKey | IIENVRHJKQNYNO-WKLPUHOVSA-M |
| InChI | InChI=1S/C62H112NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-36-38-41-44-47-50-53-61(65)69-57-59(72-62(66)54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-71-73(67,68)70-56-55-63-60(64)52-49-46-43-40-37-34-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,32,59H,4-7,9-10,12-15,18,21-24,27,29-31,33-58H2,1-3H3,(H,63,64)(H,67,68)/p-1/b11-8-,19-16-,20-17-,28-25-,32-26-/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)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H112NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-36-38-41-44-47-50-53-61(65)69-57-59(72-62(66)54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-71-73(67,68)70-56-55-63-60(64)52-49-46-43-40-37-34-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,32,59H,4-7,9-10,12-15,18,21-24,27,29-31,33-58H2,1-3H3,(H,63,64)(H,67,68)/b11-8-,19-16-,20-17-,28-25-,32-26-/t59-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:33][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:61](=[O:65])[O:69][CH2:57][C@H:59]([CH2:58][O:71][P:73]([OH:67])(=[O:68])[O:70][CH2:56][CH2:55][N:63]=[C:60]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:32]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:64])[O:72][C:62]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:35][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66] |
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