| Properties | Image |
|---|
| MNX_ID | MNXM1368593 |
 |
| reference | keggC:C21502 |
| formula | C77H132N2O27P4 |
| global charge | 0 |
| mol weight | 1641.786 |
| InChIKey | XTZSKDGCELJMAX-RVJRVLLYSA-N |
| InChI | InChI=1S/C77H132N2O27P4/c1-53(2)25-15-26-54(3)27-16-28-55(4)29-17-30-56(5)31-18-32-57(6)33-19-34-58(7)35-20-36-59(8)37-21-38-60(9)39-22-40-61(10)41-23-42-62(11)43-24-44-63(12)45-46-97-109(93,94)106-110(95,96)105-77-71(79-65(14)84)72(87)74(68(48-81)102-77)103-76-70(78-64(13)83)73(88)75(69(49-82)101-76)104-108(91,92)100-52-67(86)51-99-107(89,90)98-50-66(85)47-80/h25,27,29,31,33,35,37,39,41,43,45,66-77,80-82,85-88H,15-24,26,28,30,32,34,36,38,40,42,44,46-52H2,1-14H3,(H,78,83)(H,79,84)(H,89,90)(H,91,92)(H,93,94)(H,95,96)/b54-27+,55-29+,56-31-,57-33-,58-35-,59-37-,60-39-,61-41-,62-43-,63-45-/t66-,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](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](CO)[C@@H](OP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C77H132N2O27P4/c1-53(2)25-15-26-54(3)27-16-28-55(4)29-17-30-56(5)31-18-32-57(6)33-19-34-58(7)35-20-36-59(8)37-21-38-60(9)39-22-40-61(10)41-23-42-62(11)43-24-44-63(12)45-46-97-109(93,94)106-110(95,96)105-77-71(79-65(14)84)72(87)74(68(48-81)102-77)103-76-70(78-64(13)83)73(88)75(69(49-82)101-76)104-108(91,92)100-52-67(86)51-99-107(89,90)98-50-66(85)47-80/h25,27,29,31,33,35,37,39,41,43,45,66-77,80-82,85-88H,15-24,26,28,30,32,34,36,38,40,42,44,46-52H2,1-14H3,(H,78,83)(H,79,84)(H,89,90)(H,91,92)(H,93,94)(H,95,96)/b54-27+,55-29+,56-31-,57-33-,58-35-,59-37-,60-39-,61-41-,62-43-,63-45-/t66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76+,77-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:53]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:54]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:55]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:56]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:57]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:58]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:59]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:60]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:61]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:62]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:63]([CH3:12])=[CH:45]\[CH2:46][O:97][P:109]([OH:93])(=[O:94])[O:106][P:110]([OH:95])(=[O:96])[O:105][C@@H:77]1[C@H:71]([N:79]=[C:65]([CH3:14])[OH:84])[C@@H:72]([OH:87])[C@H:74]([O:103][C@H:76]2[C@@H:70]([N:78]=[C:64]([CH3:13])[OH:83])[C@@H:73]([OH:88])[C@H:75]([O:104][P:108]([OH:91])(=[O:92])[O:100][CH2:52][C@@H:67]([CH2:51][O:99][P:107]([OH:89])(=[O:90])[O:98][CH2:50][C@@H:66]([CH2:47][OH:80])[OH:85])[OH:86])[C@@H:69]([CH2:49][OH:82])[O:101]2)[C@@H:68]([CH2:48][OH:81])[O:102]1 |
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