| Properties | Image |
|---|
| MNX_ID | MNXM967615 |
 |
| reference | slm:000660000 |
| formula | C67H115NO9P |
| global charge | -1 |
| mol weight | 1109.629 |
| InChIKey | OXTSBHIHVOLAEC-JPLWXLCKSA-M |
| InChI | InChI=1S/C67H116NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-55-58-66(70)74-62-64(63-76-78(72,73)75-61-60-68-65(69)57-54-9-6-3)77-67(71)59-56-53-51-49-47-45-43-41-38-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,26-27,29-30,38,41,45,47,64H,4-13,18-19,24-25,28,31-37,39-40,42-44,46,48-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,41-38-,47-45-/t64-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H116NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-55-58-66(70)74-62-64(63-76-78(72,73)75-61-60-68-65(69)57-54-9-6-3)77-67(71)59-56-53-51-49-47-45-43-41-38-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,26-27,29-30,38,41,45,47,64H,4-13,18-19,24-25,28,31-37,39-40,42-44,46,48-63H2,1-3H3,(H,68,69)(H,72,73)/b16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,41-38-,47-45-/t64-/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][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:55][CH2:58][C:66](=[O:70])[O:74][CH2:62][C@H:64]([CH2:63][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:61][CH2:60][N:68]=[C:65]([CH2:57][CH2:54][CH2:9][CH2:6][CH3:3])[OH:69])[O:77][C:67]([CH2:59][CH2:56][CH2:53][CH2:51][CH2:49]/[CH:47]=[CH:45]\[CH2:43]/[CH:41]=[CH:38]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:71] |
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