| Properties | Image |
|---|
| MNX_ID | MNXM959636 |
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| reference | slm:000652021 |
| formula | C51H89NO9P |
| global charge | -1 |
| mol weight | 891.245 |
| InChIKey | KSJDFBQTLMBKFM-IZOPCMCVSA-M |
| InChI | InChI=1S/C51H90NO9P/c1-4-7-10-13-15-17-19-21-23-24-26-27-29-31-33-36-39-42-50(54)58-46-48(47-60-62(56,57)59-45-44-52-49(53)41-38-35-12-9-6-3)61-51(55)43-40-37-34-32-30-28-25-22-20-18-16-14-11-8-5-2/h15,17,21-23,25-27,31,33,48H,4-14,16,18-20,24,28-30,32,34-47H2,1-3H3,(H,52,53)(H,56,57)/p-1/b17-15-,23-21-,25-22-,27-26-,33-31-/t48-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H90NO9P/c1-4-7-10-13-15-17-19-21-23-24-26-27-29-31-33-36-39-42-50(54)58-46-48(47-60-62(56,57)59-45-44-52-49(53)41-38-35-12-9-6-3)61-51(55)43-40-37-34-32-30-28-25-22-20-18-16-14-11-8-5-2/h15,17,21-23,25-27,31,33,48H,4-14,16,18-20,24,28-30,32,34-47H2,1-3H3,(H,52,53)(H,56,57)/b17-15-,23-21-,25-22-,27-26-,33-31-/t48-/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]\[CH2:24]/[CH:26]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:36][CH2:39][CH2:42][C:50](=[O:54])[O:58][CH2:46][C@H:48]([CH2:47][O:60][P:62]([OH:56])(=[O:57])[O:59][CH2:45][CH2:44][N:52]=[C:49]([CH2:41][CH2:38][CH2:35][CH2:12][CH2:9][CH2:6][CH3:3])[OH:53])[O:61][C:51]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:25]=[CH:22]\[CH2:20][CH2:18][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55] |
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