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CHEBI:198312 - Estatin A

ChEBI IDCHEBI:198312
ChEBI NameEstatin A
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SubmitterMetaboLights
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FormulaC18H25N5O5
Net Charge0
Average Mass391.428
Monoisotopic Mass391.18557
SMILESNC(N)=NCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)O
InChIInChI=1S/C18H25N5O5/c19-18(20)22-9-5-4-8-21-15(24)12(10-11-6-2-1-3-7-11)23-16(25)13-14(28-13)17(26)27/h1-3,6-7,12-14H,4-5,8-10H2,(H,21,24)(H,23,25)(H,26,27)(H4,19,20,22)/t12-,13?,14?/m0/s1
InChIKeyCDANUSUTFSNLOG-HSBZDZAISA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonasspecies OT59 (ncbitaxon:1460272) - PubMed (2793591)
ChEBI Ontology
Outgoing Relation(s)
Estatin A (CHEBI:198312) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Manual XrefsDatabases
58828168ChemSpider