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C52-alpha-meroacyl-adenylate

PropertiesImageOccurences in reactions
MNX_IDMNXM1365943Image of MNXM1365943
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC62H111N5O8P
charge-1
mass1085.57
referencemetacycM:CPD1G-124
InChIKeyWEZKVQUDSKEODW-UHFFFAOYSA-M
InChIInChI=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
SMILES[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][CH:55]1[CH:58]([OH:69])[CH:59]([OH:70])[CH: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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IdentifierDescription
metacyc.compound:CPD1G-124
metacycM:CPD1G-124
C52-alpha-meroacyl-adenylate