| Properties | Image |
|---|
| MNX_ID | MNXM1364644 |
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| reference | keggC:C20352 |
| formula | C55H92O11P2 |
| global charge | 0 |
| mol weight | 991.278 |
| InChIKey | NUWRQHMMPHBACN-VSQGLHABSA-N |
| InChI | InChI=1S/C55H92O11P2/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-63-68(61,62)66-55-54(57)53(56)52(65-55)41-64-67(58,59)60/h21,23,25,27,29,31,33,35,37,39,52-57H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,61,62)(H2,58,59,60)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,54-,55+/m1/s1 |
| 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\COP(=O)(O)O[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C55H92O11P2/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-63-68(61,62)66-55-54(57)53(56)52(65-55)41-64-67(58,59)60/h21,23,25,27,29,31,33,35,37,39,52-57H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,61,62)(H2,58,59,60)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,54-,55+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:42]([CH3:2])=[CH:21][CH2:12][CH2:22]/[C:43]([CH3:3])=[CH:23]/[CH2:13][CH2:24]/[C:44]([CH3:4])=[CH:25]\[CH2:14][CH2:26]/[C:45]([CH3:5])=[CH:27]\[CH2:15][CH2:28]/[C:46]([CH3:6])=[CH:29]\[CH2:16][CH2:30]/[C:47]([CH3:7])=[CH:31]\[CH2:17][CH2:32]/[C:48]([CH3:8])=[CH:33]\[CH2:18][CH2:34]/[C:49]([CH3:9])=[CH:35]\[CH2:19][CH2:36]/[C:50]([CH3:10])=[CH:37]\[CH2:20][CH2:38]/[C:51]([CH3:11])=[CH:39]\[CH2:40][O:63][P:68]([OH:61])(=[O:62])[O:66][C@H:55]1[C@H:54]([OH:57])[C@H:53]([OH:56])[C@@H:52]([CH2:41][O:64][P:67]([OH:58])([OH:59])=[O:60])[O:65]1 |
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