CHEBI:220132 - Vacidobactin 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 Vacidobactin B
ChEBI ID CHEBI:220132
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H49N7O15
Net Charge 0
Average Mass 735.745
Monoisotopic Mass 735.32866
InChI InChI=1S/C29H49N7O15/c1-13-10-19(40)31-16(7-5-9-36(50)12-38)22(41)14(2)24(43)34-20(15(3)39)27(46)32-17(6-4-8-30)25(44)33-18(11-37)26(45)35-21(29(49)51-13)23(42)28(47)48/h12-18,20-23,37,39,41-42,50H,4-11,30H2,1-3H3,(H,31,40)(H,32,46)(H,33,44)(H,34,43)(H,35,45)(H,47,48)
InChIKey ZFHJKIZNPDEJSN-UHFFFAOYSA-N
SMILES O=C1OC(CC(=O)NC(C(O)C(C(=O)NC(C(NC(C(NC(C(NC1C(O)C(=O)O)=O)CO)=O)CCCN)=O)C(O)C)C)CCCN(O)C=O)C
Metabolite of Species Details
Variovorax paradoxus S110 (NCBI:txid543728) 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 Vacidobactin B (CHEBI:220132) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
2-[9-(3-aminopropyl)-17-[3-[ormyl(hydroxy)amino]propyl]-16-hydroxy-12-(1-hydroxyethyl)-6-(hydroxymethyl)-15,21-dimethyl-2,5,8,11,14,19-hexaoxo-1-oxa-4,7,10,13,18-pentazacyclohenicos-3-yl]-2-hydroxyacetic acid