| Properties | Image |
|---|
| MNX_ID | MNXM1108396 |
 |
| reference | seedM:cpd03475 |
| formula | C54H85NO12P2 |
| global charge | -2 |
| mol weight | 1002.217 |
| InChIKey | ZKFSHNSNRONOEA-NOVYZZLPSA-L |
| InChI | InChI=1S/C54H87NO12P2/c1-38(2)15-14-16-39(3)17-18-40(4)19-20-41(5)21-22-42(6)23-24-43(7)25-26-44(8)27-28-45(9)29-30-46(10)31-32-47(11)33-34-48(12)35-36-64-68(60,61)67-69(62,63)66-54-51(55-49(13)57)53(59)52(58)50(37-56)65-54/h15,17,19,21,23,25,27,29,31,33,35,50-54,56,58-59H,14,16,18,20,22,24,26,28,30,32,34,36-37H2,1-13H3,(H,55,57)(H,60,61)(H,62,63)/p-2/b39-17+,40-19+,41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+/t50-,51-,52+,53-,54-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C54H87NO12P2/c1-38(2)15-14-16-39(3)17-18-40(4)19-20-41(5)21-22-42(6)23-24-43(7)25-26-44(8)27-28-45(9)29-30-46(10)31-32-47(11)33-34-48(12)35-36-64-68(60,61)67-69(62,63)66-54-51(55-49(13)57)53(59)52(58)50(37-56)65-54/h15,17,19,21,23,25,27,29,31,33,35,50-54,56,58-59H,14,16,18,20,22,24,26,28,30,32,34,36-37H2,1-13H3,(H,55,57)(H,60,61)(H,62,63)/b39-17+,40-19+,41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+/t50-,51-,52+,53-,54-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:38]([CH3:2])=[CH:15][CH2:14][CH2:16]/[C:39]([CH3:3])=[CH:17]/[CH2:18]/[C:40]([CH3:4])=[CH:19]/[CH2:20]/[C:41]([CH3:5])=[CH:21]/[CH2:22]/[C:42]([CH3:6])=[CH:23]/[CH2:24]/[C:43]([CH3:7])=[CH:25]/[CH2:26]/[C:44]([CH3:8])=[CH:27]/[CH2:28]/[C:45]([CH3:9])=[CH:29]/[CH2:30]/[C:46]([CH3:10])=[CH:31]/[CH2:32]/[C:47]([CH3:11])=[CH:33]/[CH2:34]/[C:48]([CH3:12])=[CH:35]/[CH2:36][O:64][P:68]([OH:60])(=[O:61])[O:67][P:69]([OH:62])(=[O:63])[O:66][C@@H:54]1[C@H:51]([N:55]=[C:49]([CH3:13])[OH:57])[C@@H:53]([OH:59])[C@@H:52]([OH:58])[C@@H:50]([CH2:37][OH:56])[O:65]1 |
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