| Properties | Image |
|---|
| MNX_ID | MNXM959553 |
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| reference | slm:000651938 |
| formula | C63H105NO9P |
| global charge | -1 |
| mol weight | 1051.505 |
| InChIKey | PSHUVXOQMLDTSM-YFVGODTDSA-M |
| InChI | InChI=1S/C63H106NO9P/c1-4-7-10-13-16-18-20-22-24-26-27-28-29-30-31-32-33-35-37-39-41-43-46-49-52-55-63(67)73-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-15-12-9-6-3)58-70-62(66)54-51-48-45-42-40-38-36-34-25-23-21-19-17-14-11-8-5-2/h16-19,22-25,27-28,30-31,33,35-36,38,42,45,60H,4-15,20-21,26,29,32,34,37,39-41,43-44,46-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b18-16-,19-17-,24-22-,25-23-,28-27-,31-30-,35-33-,38-36-,45-42-/t60-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H106NO9P/c1-4-7-10-13-16-18-20-22-24-26-27-28-29-30-31-32-33-35-37-39-41-43-46-49-52-55-63(67)73-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-15-12-9-6-3)58-70-62(66)54-51-48-45-42-40-38-36-34-25-23-21-19-17-14-11-8-5-2/h16-19,22-25,27-28,30-31,33,35-36,38,42,45,60H,4-15,20-21,26,29,32,34,37,39-41,43-44,46-59H2,1-3H3,(H,64,65)(H,68,69)/b18-16-,19-17-,24-22-,25-23-,28-27-,31-30-,35-33-,38-36-,45-42-/t60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:63](=[O:67])[O:73][C@H:60]([CH2:58][O:70][C:62]([CH2:54][CH2:51][CH2:48]/[CH:45]=[CH:42]\[CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66])[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][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65] |
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