EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219770 - Micacocidin A

ChEBI IDCHEBI:219770
ChEBI NameMicacocidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37N3O4S3.Zn
Net Charge0
Average Mass629.201
Monoisotopic Mass627.12376
SMILESCCCCCc1cccc([O-])c1C1=N[C@@H]([C@H]2SC[C@@H]([C@H](O)C(C)(C)C3=N[C@@](C)(C(=O)[O-])CS3)N2C)CS1.[Zn+2]
InChIInChI=1S/C27H39N3O4S3.Zn/c1-6-7-8-10-16-11-9-12-19(31)20(16)22-28-17(13-35-22)23-30(5)18(14-36-23)21(32)26(2,3)24-29-27(4,15-37-24)25(33)34;/h9,11-12,17-18,21,23,31-32H,6-8,10,13-15H2,1-5H3,(H,33,34);/q;+2/p-2/t17-,18+,21+,23-,27-;/m1./s1
InChIKeyKZAWXYROUMCPEQ-LRLOAOIRSA-L
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (9589069)
ChEBI Ontology
Outgoing Relation(s)
Micacocidin A (CHEBI:219770) has functional parent α-amino acid (CHEBI:33704)
Micacocidin A (CHEBI:219770) is a organonitrogen compound (CHEBI:35352)
Micacocidin A (CHEBI:219770) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
zinc;(4S)-2-[(1R)-1-hydroxy-2-methyl-1-[(2R,4R)-3-methyl-2-[(4R)-2-(2-oxido-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]propan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylate
Manual XrefsDatabases
431179ChemSpider