| Properties | Image |
|---|
| MNX_ID | MNXM1372584 |
 |
| reference | keggC:C20427 |
| formula | C73H121N3O16P2 |
| global charge | 0 |
| mol weight | 1358.724 |
| InChIKey | XKBQJSBUHZIVDD-SKYXNNIUSA-N |
| InChI | InChI=1S/C73H121N3O16P2/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)47-48-87-93(83,84)92-94(85,86)91-73-68(76-64(16)80)71(66(61(13)88-73)74-62(14)78)90-72-67(75-63(15)79)70(82)69(81)65(49-77)89-72/h27,29,31,33,35,37,39,41,43,45,47,61,65-73,77,81-82H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,74,78)(H,75,79)(H,76,80)(H,83,84)(H,85,86)/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-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@@H]2[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](C)[C@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C73H121N3O16P2/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)47-48-87-93(83,84)92-94(85,86)91-73-68(76-64(16)80)71(66(61(13)88-73)74-62(14)78)90-72-67(75-63(15)79)70(82)69(81)65(49-77)89-72/h27,29,31,33,35,37,39,41,43,45,47,61,65-73,77,81-82H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,74,78)(H,75,79)(H,76,80)(H,83,84)(H,85,86)/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-/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:87][P:93]([OH:83])(=[O:84])[O:92][P:94]([OH:85])(=[O:86])[O:91][C@@H:73]1[C@H:68]([N:76]=[C:64]([CH3:16])[OH:80])[C@@H:71]([O:90][C@@H:72]2[C@H:67]([N:75]=[C:63]([CH3:15])[OH:79])[C@@H:70]([OH:82])[C@@H:69]([OH:81])[C@@H:65]([CH2:49][OH:77])[O:89]2)[C@H:66]([N:74]=[C:62]([CH3:14])[OH:78])[C@@H:61]([CH3:13])[O:88]1 |
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