| Properties | Image |
|---|
| MNX_ID | MNXM938799 |
 |
| reference | slm:000631184 |
| formula | C65H111NO9P |
| global charge | -1 |
| mol weight | 1081.575 |
| InChIKey | GESSEJUPRXQAFY-QRLXTDIMSA-M |
| InChI | InChI=1S/C65H112NO9P/c1-4-7-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-54-56-64(68)72-60-62(75-65(69)57-52-9-6-3)61-74-76(70,71)73-59-58-66-63(67)55-53-50-48-46-44-42-40-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-22,24-25,27-28,40,44,46,62H,4-6,8-9,11-13,18-19,23,26,29-39,41-43,45,47-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b10-7-,16-14-,17-15-,22-20-,25-24-,28-27-,40-21-,46-44-/t62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H112NO9P/c1-4-7-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-54-56-64(68)72-60-62(75-65(69)57-52-9-6-3)61-74-76(70,71)73-59-58-66-63(67)55-53-50-48-46-44-42-40-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-22,24-25,27-28,40,44,46,62H,4-6,8-9,11-13,18-19,23,26,29-39,41-43,45,47-61H2,1-3H3,(H,66,67)(H,70,71)/b10-7-,16-14-,17-15-,22-20-,25-24-,28-27-,40-21-,46-44-/t62-/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]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:54][CH2:56][C:64](=[O:68])[O:72][CH2:60][C@H:62]([CH2:61][O:74][P:76]([OH:70])(=[O:71])[O:73][CH2:59][CH2:58][N:66]=[C:63]([CH2:55][CH2:53][CH2:50][CH2:48]/[CH:46]=[CH:44]\[CH2:42]/[CH:40]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])[OH:67])[O:75][C:65]([CH2:57][CH2:52][CH2:9][CH2:6][CH3:3])=[O:69] |
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