| Properties | Image |
|---|
| MNX_ID | MNXM1053530 |
 |
| reference | slm:000745930 |
| formula | C78H135N3O15P2 |
| global charge | -2 |
| mol weight | 1416.892 |
| InChIKey | KGIWQADIOIMKNQ-GSZOCHIISA-L |
| InChI | InChI=1S/C78H137N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-62-64-74(83)94-70(68-92-97(87,88)96-98(89,90)93-69-71-75(84)76(85)77(95-71)81-66-65-72(79)80-78(81)86)67-91-73(82)63-61-59-57-55-53-51-49-47-45-43-41-39-37-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,33-34,65-66,70-71,75-77,84-85H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32,35-64,67-69H2,1-2H3,(H,87,88)(H,89,90)(H2,79,80,86)/p-2/b7-5-,13-11-,19-17-,25-23-,31-29-,34-33-/t70-,71-,75-,76-,77-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C78H137N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-62-64-74(83)94-70(68-92-97(87,88)96-98(89,90)93-69-71-75(84)76(85)77(95-71)81-66-65-72(79)80-78(81)86)67-91-73(82)63-61-59-57-55-53-51-49-47-45-43-41-39-37-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,33-34,65-66,70-71,75-77,84-85H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32,35-64,67-69H2,1-2H3,(H,87,88)(H,89,90)(H2,79,80,86)/b7-5-,13-11-,19-17-,25-23-,31-29-,34-33-/t70-,71-,75-,76-,77-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][CH2:62][CH2:64][C:74](=[O:83])[O:94][C@H:70]([CH2:67][O:91][C:73]([CH2:63][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:82])[CH2:68][O:92][P:97]([OH:87])(=[O:88])[O:96][P:98]([OH:89])(=[O:90])[O:93][CH2:69][C@@H:71]1[C@@H:75]([OH:84])[C@@H:76]([OH:85])[C@H:77]([N:81]2[CH:66]=[CH:65][C:72](=[NH:79])[N:80]=[C:78]2[OH:86])[O:95]1 |
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