CHEBI:220121 - Acidobactin 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 Acidobactin B
ChEBI ID CHEBI:220121
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H47N7O15
Net Charge 0
Average Mass 721.718
Monoisotopic Mass 721.31301
InChI InChI=1S/C28H47N7O15/c1-13-9-19(40)30-15(6-4-8-35(49)12-37)18(39)10-20(41)33-21(14(2)38)26(45)31-16(5-3-7-29)24(43)32-17(11-36)25(44)34-22(28(48)50-13)23(42)27(46)47/h12-18,21-23,36,38-39,42,49H,3-11,29H2,1-2H3,(H,30,40)(H,31,45)(H,32,43)(H,33,41)(H,34,44)(H,46,47)
InChIKey WIQQJJJLRHWSIE-UHFFFAOYSA-N
SMILES O=C1OC(CC(=O)NC(C(O)CC(=O)NC(C(NC(C(NC(C(NC1C(O)C(=O)O)=O)CO)=O)CCCN)=O)C(O)C)CCCN(O)C=O)C
Metabolite of Species Details
Paracidovorax citrulli AAC00-1 (NCBI:txid397945) 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 Acidobactin B (CHEBI:220121) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-[9-(3-aminopropyl)-17-[3-[ormyl(hydroxy)amino]propyl]-16-hydroxy-12-(1-hydroxyethyl)-6-(hydroxymethyl)-21-methyl-2,5,8,11,14,19-hexaoxo-1-oxa-4,7,10,13,18-pentazacyclohenicos-3-yl]-2-hydroxyacetic acid