| Properties | Image |
|---|
| MNX_ID | MNXM164798 |
 |
| reference | metacycM:CPD-19322 |
| formula | C69H115N2O15P2 |
| global charge | -1 |
| mol weight | 1274.626 |
| InChIKey | FOLRHKGIPNQAMU-YCRPVLELSA-M |
| InChI | InChI=1S/C69H116N2O15P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-81-87(77,78)86-88(79,80)85-68-63(71-60(14)73)67(62(70)59(13)82-68)84-69-66(76)65(75)64(74)61(47-72)83-69/h25,27,29,31,33,35,37,39,41,43,45,59,61-69,72,74-76H,15-24,26,28,30,32,34,36,38,40,42,44,46-47,70H2,1-14H3,(H,71,73)(H,77,78)(H,79,80)/p-1/b49-27+,50-29+,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-,58-45-/t59-,61-,62+,63-,64-,65+,66-,67+,68+,69+/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]([NH3+])[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C69H116N2O15P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-81-87(77,78)86-88(79,80)85-68-63(71-60(14)73)67(62(70)59(13)82-68)84-69-66(76)65(75)64(74)61(47-72)83-69/h25,27,29,31,33,35,37,39,41,43,45,59,61-69,72,74-76H,15-24,26,28,30,32,34,36,38,40,42,44,46-47,70H2,1-14H3,(H,71,73)(H,77,78)(H,79,80)/b49-27+,50-29+,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-,58-45-/t59-,61-,62+,63-,64-,65+,66-,67+,68+,69+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:48]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:49]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:50]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:51]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:52]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:53]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:54]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:55]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:56]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:57]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:58]([CH3:12])=[CH:45]\[CH2:46][O:81][P:87]([OH:77])(=[O:78])[O:86][P:88]([OH:79])(=[O:80])[O:85][C@H:68]1[C@H:63]([N:71]=[C:60]([CH3:14])[OH:73])[C@@H:67]([O:84][C@H:69]2[C@H:66]([OH:76])[C@@H:65]([OH:75])[C@H:64]([OH:74])[C@@H:61]([CH2:47][OH:72])[O:83]2)[C@@H:62]([NH2:70])[C@@H:59]([CH3:13])[O:82]1 |
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