| Properties | Image |
|---|
| MNX_ID | MNXM938769 |
 |
| reference | slm:000631154 |
| formula | C66H107NO9P |
| global charge | -1 |
| mol weight | 1089.554 |
| InChIKey | CTZKKOUXGPPAPH-APQSWKSQSA-M |
| InChI | InChI=1S/C66H108NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-66(70)73-61-63(76-65(69)6-3)62-75-77(71,72)74-60-59-67-64(68)57-55-53-51-49-47-45-43-41-39-24-22-20-18-16-14-12-10-8-5-2/h7-10,13-16,19-22,25-26,28-29,39,41,45,47,51,53,63H,4-6,11-12,17-18,23-24,27,30-38,40,42-44,46,48-50,52,54-62H2,1-3H3,(H,67,68)(H,71,72)/p-1/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,26-25-,29-28-,41-39-,47-45-,53-51-/t63-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C66H108NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-66(70)73-61-63(76-65(69)6-3)62-75-77(71,72)74-60-59-67-64(68)57-55-53-51-49-47-45-43-41-39-24-22-20-18-16-14-12-10-8-5-2/h7-10,13-16,19-22,25-26,28-29,39,41,45,47,51,53,63H,4-6,11-12,17-18,23-24,27,30-38,40,42-44,46,48-50,52,54-62H2,1-3H3,(H,67,68)(H,71,72)/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,26-25-,29-28-,41-39-,47-45-,53-51-/t63-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][C:66](=[O:70])[O:73][CH2:61][C@H:63]([CH2:62][O:75][P:77]([OH:71])(=[O:72])[O:74][CH2:60][CH2:59][N:67]=[C:64]([CH2:57][CH2:55]/[CH:53]=[CH:51]\[CH2:49]/[CH:47]=[CH:45]\[CH2:43]/[CH:41]=[CH:39]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:5][CH3:2])[OH:68])[O:76][C:65]([CH2:6][CH3:3])=[O:69] |
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