CHEBI:208808 - Erythrochelin

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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 Erythrochelin
ChEBI ID CHEBI:208808
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H41N7O11
Net Charge 0
Average Mass 603.630
Monoisotopic Mass 603.28641
InChI InChI=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
InChIKey OHIZVXAYPZKILQ-FUMNGEBKSA-N
SMILES O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)[C@H](NC(=O)[C@H](NC(=O)C)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C
Metabolite of Species Details
Saccharopolyspora erythraea (NCBI:txid1836) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
75574216 ChemSpider
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