| Properties | Image |
|---|
| MNX_ID | MNXM965039 |
 |
| reference | slm:000657424 |
| formula | C63H103NO9P |
| global charge | -1 |
| mol weight | 1049.489 |
| InChIKey | WUYAYOTYWDCKAV-BFHILKGFSA-M |
| InChI | InChI=1S/C63H104NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-51-54-62(66)70-58-60(59-72-74(68,69)71-57-56-64-61(65)53-50-9-6-3)73-63(67)55-52-49-47-45-43-41-39-37-34-25-23-21-19-17-15-13-11-8-5-2/h8,11,14-17,20-23,26-27,29-30,34,37,41,43,47,49,60H,4-7,9-10,12-13,18-19,24-25,28,31-33,35-36,38-40,42,44-46,48,50-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b11-8-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,37-34-,43-41-,49-47-/t60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H104NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-51-54-62(66)70-58-60(59-72-74(68,69)71-57-56-64-61(65)53-50-9-6-3)73-63(67)55-52-49-47-45-43-41-39-37-34-25-23-21-19-17-15-13-11-8-5-2/h8,11,14-17,20-23,26-27,29-30,34,37,41,43,47,49,60H,4-7,9-10,12-13,18-19,24-25,28,31-33,35-36,38-40,42,44-46,48,50-59H2,1-3H3,(H,64,65)(H,68,69)/b11-8-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,37-34-,43-41-,49-47-/t60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][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][CH2:9][CH2:6][CH3:3])[OH:65])[O:73][C:63]([CH2:55][CH2:52]/[CH:49]=[CH:47]\[CH2:45]/[CH:43]=[CH:41]\[CH2:39]/[CH:37]=[CH:34]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:67] |
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