| Properties | Image |
|---|
| MNX_ID | MNXM1363753 |
 |
| reference | biggM:unaga |
| formula | C63H103NO12P2 |
| global charge | -2 |
| mol weight | 1128.46 |
| InChIKey | NEVJGTXBHJNFAZ-UHFFFAOYSA-L |
| InChI | InChI=1S/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)(H,71,72)/p-2 |
| SMILES | CC(=O)NC1C(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC(CO)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)(H,71,72)/b48-26?,49-28?,50-30?,51-32?,52-34?,53-36?,54-38?,55-40?,56-42?,57-44?/t59?,60?,61?,62?,63? |
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| SMILES (mnx) | [CH3:1][C:47]([CH3:2])=[CH:24][CH2:14][CH2:25][C:48]([CH3:3])=[CH:26][CH2:15][CH2:27][C:49]([CH3:4])=[CH:28][CH2:16][CH2:29][C:50]([CH3:5])=[CH:30][CH2:17][CH2:31][C:51]([CH3:6])=[CH:32][CH2:18][CH2:33][C:52]([CH3:7])=[CH:34][CH2:19][CH2:35][C:53]([CH3:8])=[CH:36][CH2:20][CH2:37][C:54]([CH3:9])=[CH:38][CH2:21][CH2:39][C:55]([CH3:10])=[CH:40][CH2:22][CH2:41][C:56]([CH3:11])=[CH:42][CH2:23][CH2:43][C:57]([CH3:12])=[CH:44][CH2:45][O:73][P:77]([OH:69])(=[O:70])[O:76][P:78]([OH:71])(=[O:72])[O:75][CH:63]1[CH:60]([N:64]=[C:58]([CH3:13])[OH:66])[CH:62]([OH:68])[CH:61]([OH:67])[CH:59]([CH2:46][OH:65])[O:74]1 |
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