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CHEBI:222665 - Muraminomicin G

ChEBI IDCHEBI:222665
ChEBI NameMuraminomicin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H67N5O16
Net Charge0
Average Mass898.017
Monoisotopic Mass897.45828
SMILESCCCCCCCCCCCC(CC(=O)OC1CN(C)C(C(O[C@H]2C[C@H](O)[C@@H](CN)O2)[C@H]2O[C@@H](n3ccc(=O)nc3=O)C[C@@H]2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O
InChIInChI=1S/C42H67N5O16/c1-5-6-7-8-9-10-11-12-13-14-25(59-33(53)18-24(2)17-32(51)52)19-34(54)60-29-23-45(3)37(40(55)46(4)36(29)41(56)57)39(63-35-21-26(48)28(22-43)61-35)38-27(49)20-31(62-38)47-16-15-30(50)44-42(47)58/h15-16,24-29,31,35-39,48-49H,5-14,17-23,43H2,1-4H3,(H,51,52)(H,56,57)(H,44,50,58)/t24?,25?,26-,27-,28+,29?,31+,35-,36?,37?,38-,39?/m0/s1
InChIKeyFCSOGCDVKHVDDF-DHTOFOGASA-N
Species of MetaboliteComponentSourceComments
Streptosporangium (ncbitaxon:2000) - PubMed (31413314)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Muraminomicin G (CHEBI:222665) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[(2S,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxytetradecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid