| Properties | Image |
|---|
| MNX_ID | MNXM1051159 |
 |
| reference | slm:000743559 |
| formula | C61H103N3O15P2 |
| global charge | -2 |
| mol weight | 1180.449 |
| InChIKey | YBASDXCLFMGRIF-BIOCHFSWSA-L |
| InChI | InChI=1S/C61H105N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-47-57(66)77-53(50-74-56(65)46-44-42-40-38-36-34-32-30-22-20-18-16-14-12-10-8-6-4-2)51-75-80(70,71)79-81(72,73)76-52-54-58(67)59(68)60(78-54)64-49-48-55(62)63-61(64)69/h5,7,11,13,17,19,23-24,26-27,48-49,53-54,58-60,67-68H,3-4,6,8-10,12,14-16,18,20-22,25,28-47,50-52H2,1-2H3,(H,70,71)(H,72,73)(H2,62,63,69)/p-2/b7-5-,13-11-,19-17-,24-23-,27-26-/t53-,54-,58-,59-,60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)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/C61H105N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-47-57(66)77-53(50-74-56(65)46-44-42-40-38-36-34-32-30-22-20-18-16-14-12-10-8-6-4-2)51-75-80(70,71)79-81(72,73)76-52-54-58(67)59(68)60(78-54)64-49-48-55(62)63-61(64)69/h5,7,11,13,17,19,23-24,26-27,48-49,53-54,58-60,67-68H,3-4,6,8-10,12,14-16,18,20-22,25,28-47,50-52H2,1-2H3,(H,70,71)(H,72,73)(H2,62,63,69)/b7-5-,13-11-,19-17-,24-23-,27-26-/t53-,54-,58-,59-,60-/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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:57](=[O:66])[O:77][C@H:53]([CH2:50][O:74][C:56]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:65])[CH2:51][O:75][P:80]([OH:70])(=[O:71])[O:79][P:81]([OH:72])(=[O:73])[O:76][CH2:52][C@@H:54]1[C@@H:58]([OH:67])[C@@H:59]([OH:68])[C@H:60]([N:64]2[CH:49]=[CH:48][C:55](=[NH:62])[N:63]=[C:61]2[OH:69])[O:78]1 |
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