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CHEBI:219784 - Micacocidin C

ChEBI IDCHEBI:219784
ChEBI NameMicacocidin C
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SubmitterMetaboLights
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FormulaC27H36N3O4S3.Fe
Net Charge0
Average Mass618.648
Monoisotopic Mass618.12173
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.[Fe+3]
InChIInChI=1S/C27H38N3O4S3.Fe/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;/h9,11-12,17-18,21,23,31H,6-8,10,13-15H2,1-5H3,(H,33,34);/q-1;+3/p-2/t17-,18+,21+,23-,27-;/m1./s1
InChIKeyANYHWHQDULLETA-LRLOAOIRSA-L
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (9589069)
ChEBI Ontology
Outgoing Relation(s)
Micacocidin C (CHEBI:219784) has functional parent α-amino acid (CHEBI:33704)
Micacocidin C (CHEBI:219784) is a organonitrogen compound (CHEBI:35352)
Micacocidin C (CHEBI:219784) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
iron(3+);(4S)-4-methyl-2-[(1R)-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]-1-oxidopropan-2-yl]-5H-1,3-thiazole-4-carboxylate
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8591839ChemSpider