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CHEBI:210450 - Catenulobactin A

ChEBI IDCHEBI:210450
ChEBI NameCatenulobactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30N4O9
Net Charge0
Average Mass554.556
Monoisotopic Mass554.20128
SMILESC[C@@H]1ON(CCC[C@@H](NC(=O)[C@H]2N=C(c3ccccc3O)O[C@@H]2C)C(=O)O)C(=O)[C@H]1NC(=O)c1ccccc1O
InChIInChI=1S/C27H30N4O9/c1-14-21(30-25(39-14)17-9-4-6-12-20(17)33)24(35)28-18(27(37)38)10-7-13-31-26(36)22(15(2)40-31)29-23(34)16-8-3-5-11-19(16)32/h3-6,8-9,11-12,14-15,18,21-22,32-33H,7,10,13H2,1-2H3,(H,28,35)(H,29,34)(H,37,38)/t14-,15+,18-,21+,22+/m1/s1
InChIKeyHPKUVOXMUWHGDT-XNTGDEFBSA-N
Species of MetaboliteComponentSourceComments
Catenuloplanes (ncbitaxon:33874) - PubMed (30130105)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Catenulobactin A (CHEBI:210450) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-5-[(4S,5S)-4-[(2-hydroxybenzoyl)amino]-5-methyl-3-oxo-1,2-oxazolidin-2-yl]-2-[[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]pentanoic acid
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78439142ChemSpider