| Properties | Image |
|---|
| MNX_ID | MNXM1055540 |
 |
| reference | slm:000747940 |
| formula | C61H103N3O15P2 |
| global charge | -2 |
| mol weight | 1180.449 |
| InChIKey | GCDNDMJZRKZADH-ULCVXXPOSA-L |
| InChI | InChI=1S/C61H105N3O15P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-37-40-43-46-57(66)77-53(49-74-56(65)45-42-39-36-34-31-32-35-38-41-44-52(2)3)50-75-80(70,71)79-81(72,73)76-51-54-58(67)59(68)60(78-54)64-48-47-55(62)63-61(64)69/h8-9,11-12,14-15,17-18,20-21,47-48,52-54,58-60,67-68H,4-7,10,13,16,19,22-46,49-51H2,1-3H3,(H,70,71)(H,72,73)(H2,62,63,69)/p-2/b9-8-,12-11-,15-14-,18-17-,21-20-/t53-,54-,58-,59-,60-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-37-40-43-46-57(66)77-53(49-74-56(65)45-42-39-36-34-31-32-35-38-41-44-52(2)3)50-75-80(70,71)79-81(72,73)76-51-54-58(67)59(68)60(78-54)64-48-47-55(62)63-61(64)69/h8-9,11-12,14-15,17-18,20-21,47-48,52-54,58-60,67-68H,4-7,10,13,16,19,22-46,49-51H2,1-3H3,(H,70,71)(H,72,73)(H2,62,63,69)/b9-8-,12-11-,15-14-,18-17-,21-20-/t53-,54-,58-,59-,60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:33][CH2:37][CH2:40][CH2:43][CH2:46][C:57](=[O:66])[O:77][C@H:53]([CH2:49][O:74][C:56]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:31][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH:52]([CH3:2])[CH3:3])=[O:65])[CH2:50][O:75][P:80]([OH:70])(=[O:71])[O:79][P:81]([OH:72])(=[O:73])[O:76][CH2:51][C@@H:54]1[C@@H:58]([OH:67])[C@@H:59]([OH:68])[C@H:60]([N:64]2[CH:48]=[CH:47][C:55](=[NH:62])[N:63]=[C:61]2[OH:69])[O:78]1 |
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