| Properties | Image |
|---|
| MNX_ID | MNXM1132641 |
 |
| reference | metacycM:CPD-23924 |
| formula | C75H123NO22P2 |
| global charge | -2 |
| mol weight | 1452.742 |
| InChIKey | PGOLTABEHJUOKW-BHNODJTNSA-L |
| InChI | InChI=1S/C75H125NO22P2/c1-49(2)24-14-25-50(3)26-15-27-51(4)28-16-29-52(5)30-17-31-53(6)32-18-33-54(7)34-19-35-55(8)36-20-37-56(9)38-21-39-57(10)40-22-41-58(11)42-23-43-59(12)44-45-91-99(87,88)98-100(89,90)97-73-64(76-60(13)80)72(66(82)62(47-78)92-73)96-75-70(86)68(84)71(63(48-79)94-75)95-74-69(85)67(83)65(81)61(46-77)93-74/h24,26,28,30,32,34,36,38,40,42,44,61-75,77-79,81-86H,14-23,25,27,29,31,33,35,37,39,41,43,45-48H2,1-13H3,(H,76,80)(H,87,88)(H,89,90)/p-2/b50-26+,51-28+,52-30-,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-/t61-,62-,63-,64-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+,75+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[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](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C75H125NO22P2/c1-49(2)24-14-25-50(3)26-15-27-51(4)28-16-29-52(5)30-17-31-53(6)32-18-33-54(7)34-19-35-55(8)36-20-37-56(9)38-21-39-57(10)40-22-41-58(11)42-23-43-59(12)44-45-91-99(87,88)98-100(89,90)97-73-64(76-60(13)80)72(66(82)62(47-78)92-73)96-75-70(86)68(84)71(63(48-79)94-75)95-74-69(85)67(83)65(81)61(46-77)93-74/h24,26,28,30,32,34,36,38,40,42,44,61-75,77-79,81-86H,14-23,25,27,29,31,33,35,37,39,41,43,45-48H2,1-13H3,(H,76,80)(H,87,88)(H,89,90)/b50-26+,51-28+,52-30-,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-/t61-,62-,63-,64-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+,75+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:49]([CH3:2])=[CH:24][CH2:14][CH2:25]/[C:50]([CH3:3])=[CH:26]/[CH2:15][CH2:27]/[C:51]([CH3:4])=[CH:28]/[CH2:16][CH2:29]/[C:52]([CH3:5])=[CH:30]\[CH2:17][CH2:31]/[C:53]([CH3:6])=[CH:32]\[CH2:18][CH2:33]/[C:54]([CH3:7])=[CH:34]\[CH2:19][CH2:35]/[C:55]([CH3:8])=[CH:36]\[CH2:20][CH2:37]/[C:56]([CH3:9])=[CH:38]\[CH2:21][CH2:39]/[C:57]([CH3:10])=[CH:40]\[CH2:22][CH2:41]/[C:58]([CH3:11])=[CH:42]\[CH2:23][CH2:43]/[C:59]([CH3:12])=[CH:44]\[CH2:45][O:91][P:99]([OH:87])(=[O:88])[O:98][P:100]([OH:89])(=[O:90])[O:97][C@@H:73]1[C@H:64]([N:76]=[C:60]([CH3:13])[OH:80])[C@@H:72]([O:96][C@H:75]2[C@H:70]([OH:86])[C@@H:68]([OH:84])[C@H:71]([O:95][C@H:74]3[C@@H:69]([OH:85])[C@@H:67]([OH:83])[C@H:65]([OH:81])[C@@H:61]([CH2:46][OH:77])[O:93]3)[C@@H:63]([CH2:48][OH:79])[O:94]2)[C@@H:66]([OH:82])[C@@H:62]([CH2:47][OH:78])[O:92]1 |
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