| Properties | Image |
|---|
| MNX_ID | MNXM1052947 |
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| reference | slm:000745347 |
| formula | C44H67N3O15P2 |
| global charge | -2 |
| mol weight | 939.974 |
| InChIKey | MQKFJCQWZBQXRC-WPZMYSSESA-L |
| InChI | InChI=1S/C44H69N3O15P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-29-39(48)57-33-36(60-40(49)30-27-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h5,7,9-10,12-13,15-16,18-19,21-22,31-32,36-37,41-43,50-51H,3-4,6,8,11,14,17,20,23-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/p-2/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21-/t36-,37-,41-,42-,43-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/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)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H69N3O15P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-29-39(48)57-33-36(60-40(49)30-27-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h5,7,9-10,12-13,15-16,18-19,21-22,31-32,36-37,41-43,50-51H,3-4,6,8,11,14,17,20,23-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21-/t36-,37-,41-,42-,43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:29][C:39](=[O:48])[O:57][CH2:33][C@H:36]([CH2:34][O:58][P:63]([OH:53])(=[O:54])[O:62][P:64]([OH:55])(=[O:56])[O:59][CH2:35][C@@H:37]1[C@@H:41]([OH:50])[C@@H:42]([OH:51])[C@H:43]([N:47]2[CH:32]=[CH:31][C:38](=[NH:45])[N:46]=[C:44]2[OH:52])[O:61]1)[O:60][C:40]([CH2:30][CH2:27][CH2:6][CH2:4][CH3:2])=[O:49] |
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