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CHEBI:219309 - Malleobactin H

ChEBI IDCHEBI:219309
ChEBI NameMalleobactin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N8O11
Net Charge0
Average Mass678.700
Monoisotopic Mass678.29730
SMILESNCCCCNC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCCN(O)C=O)NC=O)[C@@H](O)C(=O)O
InChIInChI=1S/C29H42N8O11/c30-9-3-4-10-31-25(42)21(12-17-13-32-19-7-2-1-6-18(17)19)34-27(44)22(14-38)35-28(45)23(24(41)29(46)47)36-26(43)20(33-15-39)8-5-11-37(48)16-40/h1-2,6-7,13,15-16,20-24,32,38,41,48H,3-5,8-12,14,30H2,(H,31,42)(H,33,39)(H,34,44)(H,35,45)(H,36,43)(H,46,47)/t20-,21-,22-,23+,24+/m0/s1
InChIKeyZHXJYWKTMXEUFE-ZROJVYTPSA-N
Species of MetaboliteComponentSourceComments
Burkholderia thailandensis E264 (ncbitaxon:271848) - PubMed (25873483)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Malleobactin H (CHEBI:219309) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,3R)-4-[[(2S)-1-[[(2S)-1-(4-aminobutylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S)-2-ormamido-5-[ormyl(hydroxy)amino]pentanoyl]amino]-2-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
78438705ChemSpider