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CHEBI:208808 - Erythrochelin

ChEBI IDCHEBI:208808
ChEBI NameErythrochelin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H41N7O11
Net Charge0
Average Mass603.630
Monoisotopic Mass603.28641
SMILESCC(=O)N[C@H](CCCN(O)C(C)=O)C(=O)N[C@H](CO)C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(C)=O)NC1=O
InChIInChI=1S/C24H41N7O11/c1-14(33)25-17(7-4-10-29(40)15(2)34)21(36)28-20(13-32)24(39)31(42)12-6-9-19-23(38)26-18(22(37)27-19)8-5-11-30(41)16(3)35/h17-20,32,40-42H,4-13H2,1-3H3,(H,25,33)(H,26,38)(H,27,37)(H,28,36)/t17-,18+,19+,20-/m1/s1
InChIKeyOHIZVXAYPZKILQ-FUMNGEBKSA-N
Species of MetaboliteComponentSourceComments
Saccharopolyspora erythraea (ncbitaxon:1836) - PubMed (20189106)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Erythrochelin (CHEBI:208808) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R)-2-acetamido-5-[acetyl(hydroxy)amino]-N-[(2R)-1-[3-[(2S,5S)-5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-hydroxy-1-oxopropan-2-yl]pentanamide
Manual XrefsDatabases
75574216ChemSpider