| Properties | Image |
|---|
| MNX_ID | MNXM1363915 |
 |
| reference | keggC:C20498 |
| formula | C79H129N3O22P2 |
| global charge | 0 |
| mol weight | 1534.848 |
| InChIKey | PSONHUYFSWYIME-QSIPGKSISA-N |
| InChI | InChI=1S/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/b51-29+,52-31+,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+,75+,77-,78-,79-/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[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]2CO)O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](C)[C@H](NC(C)=O)[C@H](O)[C@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/b51-29+,52-31+,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+,75+,77-,78-,79-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:50]([CH3:2])=[CH:27][CH2:17][CH2:28]/[C:51]([CH3:3])=[CH:29]/[CH2:18][CH2:30]/[C:52]([CH3:4])=[CH:31]/[CH2:19][CH2:32]/[C:53]([CH3:5])=[CH:33]\[CH2:20][CH2:34]/[C:54]([CH3:6])=[CH:35]\[CH2:21][CH2:36]/[C:55]([CH3:7])=[CH:37]\[CH2:22][CH2:38]/[C:56]([CH3:8])=[CH:39]\[CH2:23][CH2:40]/[C:57]([CH3:9])=[CH:41]\[CH2:24][CH2:42]/[C:58]([CH3:10])=[CH:43]\[CH2:25][CH2:44]/[C:59]([CH3:11])=[CH:45]\[CH2:26][CH2:46]/[C:60]([CH3:12])=[CH:47]\[CH2:48][O:97][P:105]([OH:93])(=[O:94])[O:104][P:106]([OH:95])(=[O:96])[O:103][C@@H:78]1[C@H:68]([N:82]=[C:64]([CH3:16])[OH:86])[C@@H:70]([OH:88])[C@H:73]([O:100][C@H:77]2[C@@H:67]([N:81]=[C:63]([CH3:15])[OH:85])[C@@H:71]([OH:89])[C@H:74]([O:101][C@@H:79]3[C@H:72]([OH:90])[C@@H:69]([OH:87])[C@@H:66]([N:80]=[C:62]([CH3:14])[OH:84])[C@@H:61]([CH3:13])[O:98]3)[C@@H:75]([C:76](=[O:91])[OH:92])[O:102]2)[C@@H:65]([CH2:49][OH:83])[O:99]1 |
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