| Properties | Image |
|---|
| MNX_ID | MNXM1107475 |
 |
| reference | metacycM:CPD-12461 |
| formula | C55H89O7P2 |
| global charge | -3 |
| mol weight | 924.258 |
| InChIKey | NTXGVHCCXVHYCL-UCFOMDRYSA-K |
| InChI | InChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/p-3/b46-25-,47-27-,48-29-,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+ |
| SMILES | CC(C)=CCC/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/COP(=O)([O-])OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/b46-25-,47-27-,48-29-,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+ |
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| SMILES (mnx) | [CH3:1][C:45]([CH3:2])=[CH:23][CH2:13][CH2:24]/[C:46]([CH3:3])=[CH:25]\[CH2:14][CH2:26]/[C:47]([CH3:4])=[CH:27]\[CH2:15][CH2:28]/[C:48]([CH3:5])=[CH:29]\[CH2:16][CH2:30]/[C:49]([CH3:6])=[CH:31]/[CH2:17][CH2:32]/[C:50]([CH3:7])=[CH:33]/[CH2:18][CH2:34]/[C:51]([CH3:8])=[CH:35]/[CH2:19][CH2:36]/[C:52]([CH3:9])=[CH:37]/[CH2:20][CH2:38]/[C:53]([CH3:10])=[CH:39]/[CH2:21][CH2:40]/[C:54]([CH3:11])=[CH:41]/[CH2:22][CH2:42]/[C:55]([CH3:12])=[CH:43]/[CH2:44][O:61][P:64]([OH:59])(=[O:60])[O:62][P:63]([OH:56])([OH:57])=[O:58] |
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