| Properties | Image |
|---|
| MNX_ID | MNXM11199 |
 |
| reference | metacycM:CPD1G-408 |
| formula | C70H127N5O9P |
| global charge | -1 |
| mol weight | 1213.786 |
| InChIKey | LFSDBMUVWSIWPX-DYJPECKTSA-M |
| InChI | InChI=1S/C70H128N5O9P/c1-4-5-6-7-8-9-10-11-14-20-25-30-35-40-45-50-59(3)62(76)52-47-42-37-32-27-22-18-17-19-24-29-34-39-44-49-58(2)61-54-60(61)51-46-41-36-31-26-21-15-12-13-16-23-28-33-38-43-48-53-64(77)84-85(80,81)82-55-63-66(78)67(79)70(83-63)75-57-74-65-68(71)72-56-73-69(65)75/h56-61,63,66-67,70,78-79H,4-55H2,1-3H3,(H,80,81)(H2,71,72,73)/p-1/t58?,59?,60?,61?,63-,66-,67-,70-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(C)C(=O)CCCCCCCCCCCCCCCCC(C)C1CC1CCCCCCCCCCCCCCCCCCC(=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/c1-4-5-6-7-8-9-10-11-14-20-25-30-35-40-45-50-59(3)62(76)52-47-42-37-32-27-22-18-17-19-24-29-34-39-44-49-58(2)61-54-60(61)51-46-41-36-31-26-21-15-12-13-16-23-28-33-38-43-48-53-64(77)84-85(80,81)82-55-63-66(78)67(79)70(83-63)75-57-74-65-68(71)72-56-73-69(65)75/h56-61,63,66-67,70,78-79H,4-55H2,1-3H3,(H,80,81)(H2,71,72,73)/t58?,59?,60?,61?,63-,66-,67-,70-/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][CH2:14][CH2:20][CH2:25][CH2:30][CH2:35][CH2:40][CH2:45][CH2:50][CH:59]([CH3:3])[C:62]([CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH2:18][CH2:17][CH2:19][CH2:24][CH2:29][CH2:34][CH2:39][CH2:44][CH2:49][CH:58]([CH3:2])[CH:61]1[CH2:54][CH:60]1[CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH2:15][CH2:12][CH2:13][CH2:16][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][C:64](=[O:77])[O:84][P:85]([OH:80])(=[O:81])[O:82][CH2:55][C@@H:63]1[C@@H:66]([OH:78])[C@@H:67]([OH:79])[C@H:70]([N:75]2[CH:57]=[N:74][C:65]3=[C:68]([NH2:71])[N:72]=[CH:56][N:73]=[C:69]32)[O:83]1)=[O:76] |
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