| Properties | Image |
|---|
| MNX_ID | MNXM97559 |
 |
| reference | metacycM:CPD-14297 |
| formula | C71H116N2O16P2 |
| global charge | -2 |
| mol weight | 1315.655 |
| InChIKey | ZFCXXZJITFLNKV-HJVXFRPISA-L |
| InChI | InChI=1S/C71H118N2O16P2/c1-49(2)26-16-27-50(3)28-17-29-51(4)30-18-31-52(5)32-19-33-53(6)34-20-35-54(7)36-21-37-55(8)38-22-39-56(9)40-23-41-57(10)42-24-43-58(11)44-25-45-59(12)46-47-84-90(80,81)89-91(82,83)88-70-65(73-62(15)76)69(64(60(13)85-70)72-61(14)75)87-71-68(79)67(78)66(77)63(48-74)86-71/h26,28,30,32,34,36,38,40,42,44,46,60,63-71,74,77-79H,16-25,27,29,31,33,35,37,39,41,43,45,47-48H2,1-15H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)/p-2/b50-28+,51-30+,52-32+,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-,59-46-/t60-,63-,64-,65-,66-,67+,68-,69+,70-,71-/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](NC(C)=O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C71H118N2O16P2/c1-49(2)26-16-27-50(3)28-17-29-51(4)30-18-31-52(5)32-19-33-53(6)34-20-35-54(7)36-21-37-55(8)38-22-39-56(9)40-23-41-57(10)42-24-43-58(11)44-25-45-59(12)46-47-84-90(80,81)89-91(82,83)88-70-65(73-62(15)76)69(64(60(13)85-70)72-61(14)75)87-71-68(79)67(78)66(77)63(48-74)86-71/h26,28,30,32,34,36,38,40,42,44,46,60,63-71,74,77-79H,16-25,27,29,31,33,35,37,39,41,43,45,47-48H2,1-15H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)/b50-28+,51-30+,52-32+,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-,59-46-/t60-,63-,64-,65-,66-,67+,68-,69+,70-,71-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:49]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:50]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:51]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:52]([CH3:5])=[CH:32]/[CH2:19][CH2:33]/[C:53]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:54]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:55]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:56]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:57]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:58]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:59]([CH3:12])=[CH:46]\[CH2:47][O:84][P:90]([OH:80])(=[O:81])[O:89][P:91]([OH:82])(=[O:83])[O:88][C@@H:70]1[C@H:65]([N:73]=[C:62]([CH3:15])[OH:76])[C@@H:69]([O:87][C@@H:71]2[C@H:68]([OH:79])[C@@H:67]([OH:78])[C@H:66]([OH:77])[C@@H:63]([CH2:48][OH:74])[O:86]2)[C@H:64]([N:72]=[C:61]([CH3:14])[OH:75])[C@@H:60]([CH3:13])[O:85]1 |
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