| Properties | Image |
|---|
| MNX_ID | MNXM1050281 |
 |
| reference | slm:000742681 |
| formula | C48H77N3O15P2 |
| global charge | -2 |
| mol weight | 998.098 |
| InChIKey | ARDQQKQWSPOVRY-MQZLMQCHSA-L |
| InChI | InChI=1S/C48H79N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h5,7,11,13-14,16-20,35-36,40-41,45-47,54-55H,3-4,6,8-10,12,15,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/p-2/b7-5-,13-11-,16-14+,19-17-,20-18-/t40-,41-,45-,46-,47-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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)CCCCCCC/C=C\C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H79N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h5,7,11,13-14,16-20,35-36,40-41,45-47,54-55H,3-4,6,8-10,12,15,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b7-5-,13-11-,16-14+,19-17-,20-18-/t40-,41-,45-,46-,47-/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][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:43](=[O:52])[O:61][CH2:37][C@H:40]([CH2:38][O:62][P:67]([OH:57])(=[O:58])[O:66][P:68]([OH:59])(=[O:60])[O:63][CH2:39][C@@H:41]1[C@@H:45]([OH:54])[C@@H:46]([OH:55])[C@H:47]([N:51]2[CH:36]=[CH:35][C:42](=[NH:49])[N:50]=[C:48]2[OH:56])[O:65]1)[O:64][C:44]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:53] |
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