| Properties | Image |
|---|
| MNX_ID | MNXM957821 |
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| reference | slm:000650206 |
| formula | C63H109NO9P |
| global charge | -1 |
| mol weight | 1055.537 |
| InChIKey | PKDLIMGYXPXXOW-OTUUDJOQSA-M |
| InChI | InChI=1S/C63H110NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-62(66)70-58-60(73-63(67)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30-31,33,40,43,60H,4-8,10-11,13-15,17,20,22-24,26,29,32,34-39,41-42,44-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,43-40-/t60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H110NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-62(66)70-58-60(73-63(67)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25,27-28,30-31,33,40,43,60H,4-8,10-11,13-15,17,20,22-24,26,29,32,34-39,41-42,44-59H2,1-3H3,(H,64,65)(H,68,69)/b12-9-,19-16-,21-18-,28-25-,31-30-,33-27-,43-40-/t60-/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]/[CH:30]=[CH:31]\[CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:62](=[O:66])[O:70][CH2:58][C@H:60]([CH2:59][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:57][CH2:56][N:64]=[C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:65])[O:73][C:63]([CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:40]\[CH2:37]/[CH:33]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:67] |
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