| Properties | Image |
|---|
| MNX_ID | MNXM1054275 |
 |
| reference | slm:000746675 |
| formula | C78H131N3O15P2 |
| global charge | -2 |
| mol weight | 1412.86 |
| InChIKey | NJASBVKPLVOXPV-IUYHQYEQSA-L |
| InChI | InChI=1S/C78H133N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-36-37-39-41-43-45-47-49-51-53-55-57-59-61-63-73(82)91-67-70(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)94-74(83)64-62-60-58-56-54-52-50-48-46-44-42-40-38-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,65-66,70-71,75-77,84-85H,3-10,15-16,21-22,27-28,33-64,67-69H2,1-2H3,(H,87,88)(H,89,90)(H2,79,80,86)/p-2/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t70-,71-,75-,76-,77-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H133N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-36-37-39-41-43-45-47-49-51-53-55-57-59-61-63-73(82)91-67-70(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)94-74(83)64-62-60-58-56-54-52-50-48-46-44-42-40-38-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,65-66,70-71,75-77,84-85H,3-10,15-16,21-22,27-28,33-64,67-69H2,1-2H3,(H,87,88)(H,89,90)(H2,79,80,86)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t70-,71-,75-,76-,77-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:34][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][C:73](=[O:82])[O:91][CH2:67][C@H:70]([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)[O:94][C:74]([CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:35]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:83] |
|