| Properties | Image |
|---|
| MNX_ID | MNXM959415 |
 |
| reference | slm:000651800 |
| formula | C65H111NO9P |
| global charge | -1 |
| mol weight | 1081.575 |
| InChIKey | MBIHRMVRFDBFTE-ODSVYOHYSA-M |
| InChI | InChI=1S/C65H112NO9P/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-37-39-42-45-48-51-54-57-65(69)75-62(60-72-64(68)56-53-50-47-44-41-38-36-34-27-25-23-20-17-14-11-8-5-2)61-74-76(70,71)73-59-58-66-63(67)55-52-49-46-43-40-21-18-15-12-9-6-3/h16-17,19-20,24-27,29-30,32-33,36,38,44,47,62H,4-15,18,21-23,28,31,34-35,37,39-43,45-46,48-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b19-16-,20-17-,26-24-,27-25-,30-29-,33-32-,38-36-,47-44-/t62-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H112NO9P/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-37-39-42-45-48-51-54-57-65(69)75-62(60-72-64(68)56-53-50-47-44-41-38-36-34-27-25-23-20-17-14-11-8-5-2)61-74-76(70,71)73-59-58-66-63(67)55-52-49-46-43-40-21-18-15-12-9-6-3/h16-17,19-20,24-27,29-30,32-33,36,38,44,47,62H,4-15,18,21-23,28,31,34-35,37,39-43,45-46,48-61H2,1-3H3,(H,66,67)(H,70,71)/b19-16-,20-17-,26-24-,27-25-,30-29-,33-32-,38-36-,47-44-/t62-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][C:65](=[O:69])[O:75][C@H:62]([CH2:60][O:72][C:64]([CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:41]/[CH:38]=[CH:36]\[CH2:34]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68])[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][CH2:40][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:67] |
|