| Properties | Image |
|---|
| MNX_ID | MNXM1132588 |
 |
| reference | metacycM:CPD-23854 |
| formula | C77H126N2O21P2 |
| global charge | -2 |
| mol weight | 1477.796 |
| InChIKey | HEAUIDKMNWGNFQ-WSWMWAMBSA-L |
| InChI | InChI=1S/C77H128N2O21P2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)46-47-93-101(89,90)100-102(91,92)99-76-67(79-63(15)83)74(69(85)65(49-81)96-76)98-77-72(88)71(87)73(61(13)94-77)97-75-66(78-62(14)82)70(86)68(84)64(48-80)95-75/h26,28,30,32,34,36,38,40,42,44,46,61,64-77,80-81,84-88H,16-25,27,29,31,33,35,37,39,41,43,45,47-49H2,1-15H3,(H,78,82)(H,79,83)(H,89,90)(H,91,92)/p-2/b51-28+,52-30+,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-,60-46-/t61-,64+,65+,66+,67+,68+,69+,70+,71-,72+,73-,74+,75+,76+,77-/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]3[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]3NC(C)=O)O[C@H]2C)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C77H128N2O21P2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)46-47-93-101(89,90)100-102(91,92)99-76-67(79-63(15)83)74(69(85)65(49-81)96-76)98-77-72(88)71(87)73(61(13)94-77)97-75-66(78-62(14)82)70(86)68(84)64(48-80)95-75/h26,28,30,32,34,36,38,40,42,44,46,61,64-77,80-81,84-88H,16-25,27,29,31,33,35,37,39,41,43,45,47-49H2,1-15H3,(H,78,82)(H,79,83)(H,89,90)(H,91,92)/b51-28+,52-30+,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-,60-46-/t61-,64+,65+,66+,67+,68+,69+,70+,71-,72+,73-,74+,75+,76+,77-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:50]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:51]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:52]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:53]([CH3:5])=[CH:32]\[CH2:19][CH2:33]/[C:54]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:55]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:56]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:57]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:58]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:59]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:60]([CH3:12])=[CH:46]\[CH2:47][O:93][P:101]([OH:89])(=[O:90])[O:100][P:102]([OH:91])(=[O:92])[O:99][C@@H:76]1[C@H:67]([N:79]=[C:63]([CH3:15])[OH:83])[C@@H:74]([O:98][C@H:77]2[C@H:72]([OH:88])[C@H:71]([OH:87])[C@@H:73]([O:97][C@@H:75]3[C@H:66]([N:78]=[C:62]([CH3:14])[OH:82])[C@@H:70]([OH:86])[C@H:68]([OH:84])[C@@H:64]([CH2:48][OH:80])[O:95]3)[C@H:61]([CH3:13])[O:94]2)[C@H:69]([OH:85])[C@@H:65]([CH2:49][OH:81])[O:96]1 |
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