| Properties | Image |
|---|
| MNX_ID | MNXM11195 |
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| reference | metacycM:CPD1G-124 |
| formula | C62H111N5O8P |
| global charge | -1 |
| mol weight | 1085.571 |
| InChIKey | WEZKVQUDSKEODW-VMDFNRFRSA-M |
| InChI | InChI=1S/C62H112N5O8P/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-26-31-36-41-51-46-53(51)43-38-33-28-24-25-29-34-39-44-54-47-52(54)42-37-32-27-22-19-16-13-11-14-17-20-23-30-35-40-45-56(68)75-76(71,72)73-48-55-58(69)59(70)62(74-55)67-50-66-57-60(63)64-49-65-61(57)67/h49-55,58-59,62,69-70H,2-48H2,1H3,(H,71,72)(H2,63,64,65)/p-1/t51?,52?,53?,54?,55-,58-,59-,62-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C62H112N5O8P/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-26-31-36-41-51-46-53(51)43-38-33-28-24-25-29-34-39-44-54-47-52(54)42-37-32-27-22-19-16-13-11-14-17-20-23-30-35-40-45-56(68)75-76(71,72)73-48-55-58(69)59(70)62(74-55)67-50-66-57-60(63)64-49-65-61(57)67/h49-55,58-59,62,69-70H,2-48H2,1H3,(H,71,72)(H2,63,64,65)/t51?,52?,53?,54?,55-,58-,59-,62-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:12][CH2:15][CH2:18][CH2:21][CH2:26][CH2:31][CH2:36][CH2:41][CH:51]1[CH2:46][CH:53]1[CH2:43][CH2:38][CH2:33][CH2:28][CH2:24][CH2:25][CH2:29][CH2:34][CH2:39][CH2:44][CH:54]1[CH2:47][CH:52]1[CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH2:19][CH2:16][CH2:13][CH2:11][CH2:14][CH2:17][CH2:20][CH2:23][CH2:30][CH2:35][CH2:40][CH2:45][C:56](=[O:68])[O:75][P:76]([OH:71])(=[O:72])[O:73][CH2:48][C@@H:55]1[C@@H:58]([OH:69])[C@@H:59]([OH:70])[C@H:62]([N:67]2[CH:50]=[N:66][C:57]3=[C:60]([NH2:63])[N:64]=[CH:49][N:65]=[C:61]32)[O:74]1 |
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