| Properties | Image |
|---|
| MNX_ID | MNXM1053709 |
 |
| reference | slm:000746109 |
| formula | C54H89N3O15P2 |
| global charge | -2 |
| mol weight | 1082.26 |
| InChIKey | NQXOSXWHNNNUEY-NOLMJVNKSA-L |
| InChI | InChI=1S/C54H91N3O15P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-49(58)67-43-46(70-50(59)40-38-36-34-31-12-10-8-6-4-2)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/h5,7,11,13,15-16,18-19,21-22,41-42,46-47,51-53,60-61H,3-4,6,8-10,12,14,17,20,23-40,43-45H2,1-2H3,(H,63,64)(H,65,66)(H2,55,56,62)/p-2/b7-5-,13-11-,16-15-,19-18-,22-21-/t46-,47-,51-,52-,53-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H91N3O15P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-49(58)67-43-46(70-50(59)40-38-36-34-31-12-10-8-6-4-2)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/h5,7,11,13,15-16,18-19,21-22,41-42,46-47,51-53,60-61H,3-4,6,8-10,12,14,17,20,23-40,43-45H2,1-2H3,(H,63,64)(H,65,66)(H2,55,56,62)/b7-5-,13-11-,16-15-,19-18-,22-21-/t46-,47-,51-,52-,53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[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][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][C:49](=[O:58])[O:67][CH2:43][C@H:46]([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)[O:70][C:50]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:31][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:59] |
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