| Properties | Image |
|---|
| MNX_ID | MNXM1029598 |
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| reference | slm:000721987 |
| formula | C53H95NO8P |
| global charge | -1 |
| mol weight | 905.316 |
| InChIKey | BULMRCMUNJWFAW-WJNIBXRNSA-M |
| InChI | InChI=1S/C53H96NO8P/c1-4-7-10-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-39-42-45-53(56)62-51(49-59-47-43-40-37-35-33-31-22-20-18-16-14-11-8-5-2)50-61-63(57,58)60-48-46-54-52(55)44-41-38-12-9-6-3/h7,10,15,17,21,23,25-26,28-29,51H,4-6,8-9,11-14,16,18-20,22,24,27,30-50H2,1-3H3,(H,54,55)(H,57,58)/p-1/b10-7-,17-15-,23-21-,26-25-,29-28-/t51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H96NO8P/c1-4-7-10-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-39-42-45-53(56)62-51(49-59-47-43-40-37-35-33-31-22-20-18-16-14-11-8-5-2)50-61-63(57,58)60-48-46-54-52(55)44-41-38-12-9-6-3/h7,10,15,17,21,23,25-26,28-29,51H,4-6,8-9,11-14,16,18-20,22,24,27,30-50H2,1-3H3,(H,54,55)(H,57,58)/b10-7-,17-15-,23-21-,26-25-,29-28-/t51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:32][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][C:53](=[O:56])[O:62][C@H:51]([CH2:49][O:59][CH2:47][CH2:43][CH2:40][CH2:37][CH2:35][CH2:33][CH2:31][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:50][O:61][P:63]([OH:57])(=[O:58])[O:60][CH2:48][CH2:46][N:54]=[C:52]([CH2:44][CH2:41][CH2:38][CH2:12][CH2:9][CH2:6][CH3:3])[OH:55] |
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