| Properties | Image |
|---|
| MNX_ID | MNXM148959 |
 |
| reference | metacycM:CPD-16607 |
| formula | C63H105N2O10P2 |
| global charge | -1 |
| mol weight | 1112.485 |
| InChIKey | RPFZZWLWWYHEGN-PLIMUWPISA-M |
| InChI | InChI=1S/C63H106N2O10P2/c1-47(2)25-15-26-48(3)27-16-28-49(4)29-17-30-50(5)31-18-32-51(6)33-19-34-52(7)35-20-36-53(8)37-21-38-54(9)39-22-40-55(10)41-23-42-56(11)43-24-44-57(12)45-46-72-76(68,69)75-77(70,71)74-63-61(65-59(14)66)62(67)60(64)58(13)73-63/h25,27,29,31,33,35,37,39,41,43,45,58,60-63,67H,15-24,26,28,30,32,34,36,38,40,42,44,46,64H2,1-14H3,(H,65,66)(H,68,69)(H,70,71)/p-1/b48-27+,49-29+,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-,57-45-/t58-,60+,61-,62+,63-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](C)[C@H]([NH3+])[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C63H106N2O10P2/c1-47(2)25-15-26-48(3)27-16-28-49(4)29-17-30-50(5)31-18-32-51(6)33-19-34-52(7)35-20-36-53(8)37-21-38-54(9)39-22-40-55(10)41-23-42-56(11)43-24-44-57(12)45-46-72-76(68,69)75-77(70,71)74-63-61(65-59(14)66)62(67)60(64)58(13)73-63/h25,27,29,31,33,35,37,39,41,43,45,58,60-63,67H,15-24,26,28,30,32,34,36,38,40,42,44,46,64H2,1-14H3,(H,65,66)(H,68,69)(H,70,71)/b48-27+,49-29+,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-,57-45-/t58-,60+,61-,62+,63-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:47]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:48]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:49]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:50]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:51]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:52]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:53]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:54]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:55]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:56]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:57]([CH3:12])=[CH:45]\[CH2:46][O:72][P:76]([OH:68])(=[O:69])[O:75][P:77]([OH:70])(=[O:71])[O:74][C@@H:63]1[C@H:61]([N:65]=[C:59]([CH3:14])[OH:66])[C@@H:62]([OH:67])[C@@H:60]([NH2:64])[C@@H:58]([CH3:13])[O:73]1 |
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