| Properties | Image |
|---|
| MNX_ID | MNXM11196 |
 |
| reference | metacycM:CPD1G-204 |
| formula | C69H127N5O9P |
| global charge | -1 |
| mol weight | 1201.775 |
| InChIKey | PKNCKRDTNMPDGF-DWUGNXIESA-M |
| InChI | InChI=1S/C69H128N5O9P/c1-4-5-6-7-8-9-10-11-12-14-19-24-29-34-39-44-49-58(2)61(80-3)52-47-42-37-32-27-22-18-17-21-26-31-36-41-46-51-60-54-59(60)50-45-40-35-30-25-20-15-13-16-23-28-33-38-43-48-53-63(75)83-84(78,79)81-55-62-65(76)66(77)69(82-62)74-57-73-64-67(70)71-56-72-68(64)74/h56-62,65-66,69,76-77H,4-55H2,1-3H3,(H,78,79)(H2,70,71,72)/p-1/t58?,59?,60?,61?,62-,65-,66-,69-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC(C)C(CCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OC |
MNX internals
| InChI (mnx) | InChI=1/C69H128N5O9P/c1-4-5-6-7-8-9-10-11-12-14-19-24-29-34-39-44-49-58(2)61(80-3)52-47-42-37-32-27-22-18-17-21-26-31-36-41-46-51-60-54-59(60)50-45-40-35-30-25-20-15-13-16-23-28-33-38-43-48-53-63(75)83-84(78,79)81-55-62-65(76)66(77)69(82-62)74-57-73-64-67(70)71-56-72-68(64)74/h56-62,65-66,69,76-77H,4-55H2,1-3H3,(H,78,79)(H2,70,71,72)/t58?,59?,60?,61?,62-,65-,66-,69-/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][CH2:14][CH2:19][CH2:24][CH2:29][CH2:34][CH2:39][CH2:44][CH2:49][CH:58]([CH3:2])[CH:61]([CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH2:18][CH2:17][CH2:21][CH2:26][CH2:31][CH2:36][CH2:41][CH2:46][CH2:51][CH:60]1[CH2:54][CH:59]1[CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH2:15][CH2:13][CH2:16][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][C:63](=[O:75])[O:83][P:84]([OH:78])(=[O:79])[O:81][CH2:55][C@@H:62]1[C@@H:65]([OH:76])[C@@H:66]([OH:77])[C@H:69]([N:74]2[CH:57]=[N:73][C:64]3=[C:67]([NH2:70])[N:71]=[CH:56][N:72]=[C:68]32)[O:82]1)[O:80][CH3:3] |
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