| Properties | Image |
|---|
| MNX_ID | MNXM1051056 |
 |
| reference | slm:000743456 |
| formula | C54H81N3O15P2 |
| global charge | -2 |
| mol weight | 1074.196 |
| InChIKey | IMCDBZRFFAFLBG-SKPRFRGPSA-L |
| InChI | InChI=1S/C54H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-50(59)70-46(43-67-49(58)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)44-68-73(63,64)72-74(65,66)69-45-47-51(60)52(61)53(71-47)57-42-41-48(55)56-54(57)62/h6,8,11-14,17-20,22,24-25,27-28,30,34,36,41-42,46-47,51-53,60-61H,3-5,7,9-10,15-16,21,23,26,29,31-33,35,37-40,43-45H2,1-2H3,(H,63,64)(H,65,66)(H2,55,56,62)/p-2/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t46-,47-,51-,52-,53-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-50(59)70-46(43-67-49(58)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)44-68-73(63,64)72-74(65,66)69-45-47-51(60)52(61)53(71-47)57-42-41-48(55)56-54(57)62/h6,8,11-14,17-20,22,24-25,27-28,30,34,36,41-42,46-47,51-53,60-61H,3-5,7,9-10,15-16,21,23,26,29,31-33,35,37-40,43-45H2,1-2H3,(H,63,64)(H,65,66)(H2,55,56,62)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t46-,47-,51-,52-,53-/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:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][C:50](=[O:59])[O:70][C@H:46]([CH2:43][O:67][C:49]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:58])[CH2:44][O:68][P:73]([OH:63])(=[O:64])[O:72][P:74]([OH:65])(=[O:66])[O:69][CH2:45][C@@H:47]1[C@@H:51]([OH:60])[C@@H:52]([OH:61])[C@H:53]([N:57]2[CH:42]=[CH:41][C:48](=[NH:55])[N:56]=[C:54]2[OH:62])[O:71]1 |
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