| Properties | Image |
|---|
| MNX_ID | MNXM960419 |
 |
| reference | slm:000652804 |
| formula | C67H111NO9P |
| global charge | -1 |
| mol weight | 1105.597 |
| InChIKey | XFJWEJIJVQNHID-GHQURJJHSA-M |
| InChI | InChI=1S/C67H112NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-56-59-67(71)77-64(63-76-78(72,73)75-61-60-68-65(69)57-54-9-6-3)62-74-66(70)58-55-52-50-48-46-44-42-40-38-25-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,26-27,29-30,32-33,38,40,44,46,64H,4-6,8-9,11-13,18-19,24-25,28,31,34-37,39,41-43,45,47-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b10-7-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,33-32-,40-38-,46-44-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H112NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-56-59-67(71)77-64(63-76-78(72,73)75-61-60-68-65(69)57-54-9-6-3)62-74-66(70)58-55-52-50-48-46-44-42-40-38-25-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,26-27,29-30,32-33,38,40,44,46,64H,4-6,8-9,11-13,18-19,24-25,28,31,34-37,39,41-43,45,47-63H2,1-3H3,(H,68,69)(H,72,73)/b10-7-,16-14-,17-15-,22-20-,23-21-,27-26-,30-29-,33-32-,40-38-,46-44-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH: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]/[CH:32]=[CH:33]\[CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:56][CH2:59][C:67](=[O:71])[O:77][C@H:64]([CH2:62][O:74][C:66]([CH2:58][CH2:55][CH2:52][CH2:50][CH2:48]/[CH:46]=[CH:44]\[CH2:42]/[CH:40]=[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:70])[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] |
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