| Properties | Image |
|---|
| MNX_ID | MNXM11198 |
 |
| reference | metacycM:CPD1G-360 |
| formula | C70H127N5O9P |
| global charge | -1 |
| mol weight | 1213.786 |
| InChIKey | YUEXMKVVZQWYDU-QFAWNILUSA-M |
| InChI | InChI=1S/C70H128N5O9P/c1-3-4-5-6-7-8-9-10-11-15-20-25-30-35-40-45-50-59(2)62(76)53-48-43-38-33-28-23-19-18-22-27-32-37-42-47-52-61-55-60(61)51-46-41-36-31-26-21-16-13-12-14-17-24-29-34-39-44-49-54-64(77)84-85(80,81)82-56-63-66(78)67(79)70(83-63)75-58-74-65-68(71)72-57-73-69(65)75/h57-61,63,66-67,70,78-79H,3-56H2,1-2H3,(H,80,81)(H2,71,72,73)/p-1/t59?,60?,61?,63-,66-,67-,70-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC(C)C(=O)CCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCCC(=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/C70H128N5O9P/c1-3-4-5-6-7-8-9-10-11-15-20-25-30-35-40-45-50-59(2)62(76)53-48-43-38-33-28-23-19-18-22-27-32-37-42-47-52-61-55-60(61)51-46-41-36-31-26-21-16-13-12-14-17-24-29-34-39-44-49-54-64(77)84-85(80,81)82-56-63-66(78)67(79)70(83-63)75-58-74-65-68(71)72-57-73-69(65)75/h57-61,63,66-67,70,78-79H,3-56H2,1-2H3,(H,80,81)(H2,71,72,73)/t59?,60?,61?,63-,66-,67-,70-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:15][CH2:20][CH2:25][CH2:30][CH2:35][CH2:40][CH2:45][CH2:50][CH:59]([CH3:2])[C:62]([CH2:53][CH2:48][CH2:43][CH2:38][CH2:33][CH2:28][CH2:23][CH2:19][CH2:18][CH2:22][CH2:27][CH2:32][CH2:37][CH2:42][CH2:47][CH2:52][CH:61]1[CH2:55][CH:60]1[CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH2:16][CH2:13][CH2:12][CH2:14][CH2:17][CH2:24][CH2:29][CH2:34][CH2:39][CH2:44][CH2:49][CH2:54][C:64](=[O:77])[O:84][P:85]([OH:80])(=[O:81])[O:82][CH2:56][C@@H:63]1[C@@H:66]([OH:78])[C@@H:67]([OH:79])[C@H:70]([N:75]2[CH:58]=[N:74][C:65]3=[C:68]([NH2:71])[N:72]=[CH:57][N:73]=[C:69]32)[O:83]1)=[O:76] |
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