| Properties | Image |
|---|
| MNX_ID | MNXM1054729 |
 |
| reference | slm:000747129 |
| formula | C66H111N3O15P2 |
| global charge | -2 |
| mol weight | 1248.568 |
| InChIKey | TXAGCXSNUISXRZ-UMEOQNGSSA-L |
| InChI | InChI=1S/C66H113N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-61(70)79-55-58(82-62(71)52-50-48-46-44-42-40-37-18-16-14-12-10-8-6-4-2)56-80-85(75,76)84-86(77,78)81-57-59-63(72)64(73)65(83-59)69-54-53-60(67)68-66(69)74/h5,7,11,13-14,16-17,19,21-22,24-25,53-54,58-59,63-65,72-73H,3-4,6,8-10,12,15,18,20,23,26-52,55-57H2,1-2H3,(H,75,76)(H,77,78)(H2,67,68,74)/p-2/b7-5-,13-11-,16-14-,19-17-,22-21-,25-24-/t58-,59-,63-,64-,65-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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)CCCCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H113N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-61(70)79-55-58(82-62(71)52-50-48-46-44-42-40-37-18-16-14-12-10-8-6-4-2)56-80-85(75,76)84-86(77,78)81-57-59-63(72)64(73)65(83-59)69-54-53-60(67)68-66(69)74/h5,7,11,13-14,16-17,19,21-22,24-25,53-54,58-59,63-65,72-73H,3-4,6,8-10,12,15,18,20,23,26-52,55-57H2,1-2H3,(H,75,76)(H,77,78)(H2,67,68,74)/b7-5-,13-11-,16-14-,19-17-,22-21-,25-24-/t58-,59-,63-,64-,65-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:61](=[O:70])[O:79][CH2:55][C@H:58]([CH2:56][O:80][P:85]([OH:75])(=[O:76])[O:84][P:86]([OH:77])(=[O:78])[O:81][CH2:57][C@@H:59]1[C@@H:63]([OH:72])[C@@H:64]([OH:73])[C@H:65]([N:69]2[CH:54]=[CH:53][C:60](=[NH:67])[N:68]=[C:66]2[OH:74])[O:83]1)[O:82][C:62]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:37][CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:71] |
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