CHEBI:219778 - Micacocidin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Micacocidin B
ChEBI ID CHEBI:219778
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H37N3O4S3.Cu
Net Charge 0
Average Mass 627.340
Monoisotopic Mass 626.12422
InChI InChI=1S/C27H39N3O4S3.Cu/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
InChIKey QTKLBISHOALPJW-LRLOAOIRSA-L
SMILES [Cu+2].S1C(=N[C@](C1)(C(=O)[O-])C)C([C@@H](O)[C@H]2N([C@@H]([C@@H]3N=C(C4=C([O-])C=CC=C4CCCCC)SC3)SC2)C)(C)C
Metabolite of Species Details
Pseudomonas (NCBI:txid286) See: PubMed
ChEBI Ontology
Outgoing Micacocidin B (CHEBI:219778) has functional parent α-amino acid (CHEBI:33704)
Micacocidin B (CHEBI:219778) is a organonitrogen compound (CHEBI:35352)
Micacocidin B (CHEBI:219778) is a organooxygen compound (CHEBI:36963)
IUPAC Name
copper;(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 Xref Database
8637046 ChemSpider
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