CHEBI:217983 - Lystabactin 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 Lystabactin B
ChEBI ID CHEBI:217983
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H51N9O15
Net Charge 0
Average Mass 825.830
Monoisotopic Mass 825.35046
InChI InChI=1S/C34H51N9O15/c35-20(7-1-2-11-37-30(51)19-6-3-10-25(46)29(19)50)26(47)15-28(49)38-24-16-58-34(55)22(9-5-13-43(57)18-45)40-32(53)23(14-27(36)48)41-31(52)21(39-33(24)54)8-4-12-42(56)17-44/h3,6,10,17-18,20-24,26,46-47,50,56-57H,1-2,4-5,7-9,11-16,35H2,(H2,36,48)(H,37,51)(H,38,49)(H,39,54)(H,40,53)(H,41,52)/t20-,21-,22-,23+,24+,26-/m0/s1
InChIKey FFAYQCOAOXEBPN-CXBWMIOTSA-N
SMILES O=C1OC[C@@H](NC(=O)C[C@H](O)[C@@H](N)CCCCNC(=O)C2=C(O)C(O)=CC=C2)C(=O)N[C@@H](CCCN(O)C=O)C(N[C@@H](C(N[C@H]1CCCN(O)C=O)=O)CC(=O)N)=O
Metabolite of Species Details
Pseudoalteromonasspecies S2B (NCBI:txid1286359) 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 Lystabactin B (CHEBI:217983) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(5S,6S)-5-amino-8-[[(3S,6R,9S,12R)-6-(2-amino-2-oxoethyl)-3,9-bis[3-[ormyl(hydroxy)amino]propyl]-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-6-hydroxy-8-oxooctyl]-2,3-dihydroxybenzamide
Manual Xref Database
30770830 ChemSpider
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