| Properties | Image |
|---|
| MNX_ID | MNXM962914 |
 |
| reference | slm:000655299 |
| formula | C65H111NO9P |
| global charge | -1 |
| mol weight | 1081.575 |
| InChIKey | BQNDFYBOTXCZEQ-GCQCBVFMSA-M |
| InChI | InChI=1S/C65H112NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-30-31-32-34-35-37-39-41-44-47-50-53-56-64(68)72-60-62(61-74-76(70,71)73-59-58-66-63(67)55-52-49-46-43-18-15-12-9-6-3)75-65(69)57-54-51-48-45-42-40-38-36-33-28-26-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-26,29-30,32-34,36,40,42,62H,4-15,18,21-22,27-28,31,35,37-39,41,43-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b19-16-,20-17-,25-23-,26-24-,30-29-,34-32-,36-33-,42-40-/t62-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H112NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-30-31-32-34-35-37-39-41-44-47-50-53-56-64(68)72-60-62(61-74-76(70,71)73-59-58-66-63(67)55-52-49-46-43-18-15-12-9-6-3)75-65(69)57-54-51-48-45-42-40-38-36-33-28-26-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-26,29-30,32-34,36,40,42,62H,4-15,18,21-22,27-28,31,35,37-39,41,43-61H2,1-3H3,(H,66,67)(H,70,71)/b19-16-,20-17-,25-23-,26-24-,30-29-,34-32-,36-33-,42-40-/t62-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:34]\[CH2:35][CH2:37][CH2:39][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][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][CH2:52][CH2:49][CH2:46][CH2:43][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:67])[O:75][C:65]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:33]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:69] |
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