| Properties | Image |
|---|
| MNX_ID | MNXM964115 |
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| reference | slm:000656500 |
| formula | C65H111NO9P |
| global charge | -1 |
| mol weight | 1081.575 |
| InChIKey | JJBGBBOSUMKBKE-HQQGKAFQSA-M |
| InChI | InChI=1S/C65H112NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-31-33-34-36-38-40-42-44-46-48-50-53-56-64(68)72-60-62(61-74-76(70,71)73-59-58-66-63(67)55-52-9-6-3)75-65(69)57-54-51-49-47-45-43-41-39-37-35-32-29-27-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,26-29,31,33,35,37,62H,4-13,18-19,24-25,30,32,34,36,38-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,33-31-,37-35-/t62-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H112NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-31-33-34-36-38-40-42-44-46-48-50-53-56-64(68)72-60-62(61-74-76(70,71)73-59-58-66-63(67)55-52-9-6-3)75-65(69)57-54-51-49-47-45-43-41-39-37-35-32-29-27-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,26-29,31,33,35,37,62H,4-13,18-19,24-25,30,32,34,36,38-61H2,1-3H3,(H,66,67)(H,70,71)/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,33-31-,37-35-/t62-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:31]=[CH:33]\[CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][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][CH2:9][CH2:6][CH3:3])[OH:67])[O:75][C:65]([CH2:57][CH2:54][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39]/[CH:37]=[CH:35]\[CH2:32]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:69] |
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