| Properties | Image |
|---|
| MNX_ID | MNXM5459 |
 |
| reference | chebi:83578 |
| formula | C48H81N7O19P3S |
| global charge | -5 |
| mol weight | 1185.195 |
| InChIKey | VUYDEKMWDHLSSI-RVNPWDOLSA-I |
| InChI | InChI=1S/C48H86N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(46(60)61)47(62)78-30-29-50-37(56)27-28-51-44(59)41(58)48(2,3)32-71-77(68,69)74-76(66,67)70-31-36-40(73-75(63,64)65)39(57)45(72-36)55-34-54-38-42(49)52-33-53-43(38)55/h33-36,39-41,45,57-58H,4-32H2,1-3H3,(H,50,56)(H,51,59)(H,60,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-5/t35?,36-,39-,40-,41+,45-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C48H86N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(46(60)61)47(62)78-30-29-50-37(56)27-28-51-44(59)41(58)48(2,3)32-71-77(68,69)74-76(66,67)70-31-36-40(73-75(63,64)65)39(57)45(72-36)55-34-54-38-42(49)52-33-53-43(38)55/h33-36,39-41,45,57-58H,4-32H2,1-3H3,(H,50,56)(H,51,59)(H,60,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t35?,36-,39-,40-,41+,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH:35]([C:46](=[O:60])[OH:61])[C:47](=[O:62])[S:78][CH2:30][CH2:29][N:50]=[C:37]([CH2:27][CH2:28][N:51]=[C:44]([C@@H:41]([C:48]([CH3:2])([CH3:3])[CH2:32][O:71][P:77]([OH:68])(=[O:69])[O:74][P:76]([OH:66])(=[O:67])[O:70][CH2:31][C@@H:36]1[C@@H:40]([O:73][P:75]([OH:63])([OH:64])=[O:65])[C@@H:39]([OH:57])[C@H:45]([N:55]2[CH:34]=[N:54][C:38]3=[C:42]([NH2:49])[N:52]=[CH:33][N:53]=[C:43]32)[O:72]1)[OH:58])[OH:59])[OH:56] |
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