| Properties | Image |
|---|
| MNX_ID | MNXM1106934 |
 |
| reference | metacycM:CPD-19349 |
| formula | C71H116N2O17P2 |
| global charge | -2 |
| mol weight | 1331.654 |
| InChIKey | LOTKWENHMDGLHJ-QOZJJACASA-L |
| InChI | InChI=1S/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-86-91(81,82)90-92(83,84)89-71-65(73-61(14)76)69(80)67(78)63(88-71)48-85-70-64(72-60(13)75)68(79)66(77)62(47-74)87-70/h25,27,29,31,33,35,37,39,41,43,45,62-71,74,77-80H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,72,75)(H,73,76)(H,81,82)(H,83,84)/p-2/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64-,65-,66+,67+,68-,69-,70-,71-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@H]2O[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)[C@H](NC(C)=O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-86-91(81,82)90-92(83,84)89-71-65(73-61(14)76)69(80)67(78)63(88-71)48-85-70-64(72-60(13)75)68(79)66(77)62(47-74)87-70/h25,27,29,31,33,35,37,39,41,43,45,62-71,74,77-80H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,72,75)(H,73,76)(H,81,82)(H,83,84)/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64-,65-,66+,67+,68-,69-,70-,71-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:49]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:50]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:51]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:52]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:53]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:54]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:55]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:56]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:57]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:58]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:59]([CH3:12])=[CH:45]\[CH2:46][O:86][P:91]([OH:81])(=[O:82])[O:90][P:92]([OH:83])(=[O:84])[O:89][C@@H:71]1[C@H:65]([N:73]=[C:61]([CH3:14])[OH:76])[C@@H:69]([OH:80])[C@@H:67]([OH:78])[C@@H:63]([CH2:48][O:85][C@H:70]2[C@H:64]([N:72]=[C:60]([CH3:13])[OH:75])[C@@H:68]([OH:79])[C@@H:66]([OH:77])[C@@H:62]([CH2:47][OH:74])[O:87]2)[O:88]1 |
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