| Properties | Image |
|---|
| MNX_ID | MNXM964641 |
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| reference | slm:000657026 |
| formula | C60H97NO9P |
| global charge | -1 |
| mol weight | 1007.408 |
| InChIKey | ZJHNLITUPVHQQJ-OEFDZTBHSA-M |
| InChI | InChI=1S/C60H98NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-60(64)67-55-57(70-59(63)6-3)56-69-71(65,66)68-54-53-61-58(62)51-49-47-45-43-41-39-37-35-33-24-22-20-18-16-14-12-10-8-5-2/h8,10,13-16,19-22,25-26,28-29,33,35,39,41,45,47,57H,4-7,9,11-12,17-18,23-24,27,30-32,34,36-38,40,42-44,46,48-56H2,1-3H3,(H,61,62)(H,65,66)/p-1/b10-8-,15-13-,16-14-,21-19-,22-20-,26-25-,29-28-,35-33-,41-39-,47-45-/t57-/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)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C60H98NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-60(64)67-55-57(70-59(63)6-3)56-69-71(65,66)68-54-53-61-58(62)51-49-47-45-43-41-39-37-35-33-24-22-20-18-16-14-12-10-8-5-2/h8,10,13-16,19-22,25-26,28-29,33,35,39,41,45,47,57H,4-7,9,11-12,17-18,23-24,27,30-32,34,36-38,40,42-44,46,48-56H2,1-3H3,(H,61,62)(H,65,66)/b10-8-,15-13-,16-14-,21-19-,22-20-,26-25-,29-28-,35-33-,41-39-,47-45-/t57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][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][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:60](=[O:64])[O:67][CH2:55][C@H:57]([CH2:56][O:69][P:71]([OH:65])(=[O:66])[O:68][CH2:54][CH2:53][N:61]=[C:58]([CH2:51][CH2:49]/[CH:47]=[CH:45]\[CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:5][CH3:2])[OH:62])[O:70][C:59]([CH2:6][CH3:3])=[O:63] |
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