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HOLO-CITRATE-LYASE

PropertiesImage
MNX_IDMNXM728737 Image of MNXM728737
referenceseedM:cpd27220
formulaC29H45N8O21P3S*2
global charge-2
mol weight 
InChIKey 
InChI 
SMILES[*][NH2+][C@@H](COP(=O)([O-])OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)O[C@H]2n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C([*])=O
MNX internals
InChI (mnx)  Image of MNXM728737
SMILES (mnx)[*:1][NH:2][C@@H:3]([CH2:4][O:5][P:6](=[O:7])([OH:8])[O:9][CH2:10][C@H:11]1[O:12][C@H:13]([O:14][C@@H:15]2[C@H:16]([OH:17])[C@@H:18]([CH2:19][O:20][P:21](=[O:22])([OH:23])[O:24][P:25](=[O:26])([OH:27])[O:28][CH2:29][C:30]([CH3:31])([CH3:32])[C@@H:33]([OH:34])[C:35](=[O:36])[NH:37][CH2:38][CH2:39][C:40](=[O:41])[NH:42][CH2:43][CH2:44][SH:45])[O:46][C@H:47]2[N:48]2[CH:49]=[N:50][C:51]3=[C:52]([NH2:53])[N:54]=[CH:55][N:56]=[C:57]23)[C@H:58]([OH:59])[C@@H:60]1[OH:61])[C:62]([*:63])=[O:64]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd27220
seedM:cpd27220
HOLO-CITRATE-LYASE

seedM:M_cpd27220
secondary/obsolete/fantasy identifier