| Properties | Image |
|---|
| MNX_ID | MNXM1368168 |
 |
| reference | keggC:C20622 |
| formula | C77H128N2O22P2 |
| global charge | 0 |
| mol weight | 1495.811 |
| InChIKey | DTHGKYAZBNWFMJ-RIJYEUHMSA-N |
| InChI | InChI=1S/C77H128N2O22P2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-94-102(90,91)101-103(92,93)100-76-67(79-62(14)84)74(70(87)65(49-82)96-76)98-75-66(78-61(13)83)73(69(86)64(48-81)95-75)99-77-72(89)71(88)68(85)63(47-80)97-77/h25,27,29,31,33,35,37,39,41,43,45,63-77,80-82,85-89H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,78,83)(H,79,84)(H,90,91)(H,92,93)/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t63-,64-,65-,66-,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)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)[C@@H]2NC(C)=O)O[C@H](CO)[C@H](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/C77H128N2O22P2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-94-102(90,91)101-103(92,93)100-76-67(79-62(14)84)74(70(87)65(49-82)96-76)98-75-66(78-61(13)83)73(69(86)64(48-81)95-75)99-77-72(89)71(88)68(85)63(47-80)97-77/h25,27,29,31,33,35,37,39,41,43,45,63-77,80-82,85-89H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,78,83)(H,79,84)(H,90,91)(H,92,93)/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t63-,64-,65-,66-,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:50]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:51]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:52]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:53]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:54]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:55]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:56]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:57]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:58]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:59]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:60]([CH3:12])=[CH:45]\[CH2:46][O:94][P:102]([OH:90])(=[O:91])[O:101][P:103]([OH:92])(=[O:93])[O:100][C@@H:76]1[C@H:67]([N:79]=[C:62]([CH3:14])[OH:84])[C@@H:74]([O:98][C@@H:75]2[C@H:66]([N:78]=[C:61]([CH3:13])[OH:83])[C@@H:73]([O:99][C@H:77]3[C@H:72]([OH:89])[C@@H:71]([OH:88])[C@@H:68]([OH:85])[C@@H:63]([CH2:47][OH:80])[O:97]3)[C@@H:69]([OH:86])[C@@H:64]([CH2:48][OH:81])[O:95]2)[C@@H:70]([OH:87])[C@@H:65]([CH2:49][OH:82])[O:96]1 |
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