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CHEBI:198441 - Ambactin

ChEBI IDCHEBI:198441
ChEBI NameAmbactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H54N8O8
Net Charge0
Average Mass750.898
Monoisotopic Mass750.40646
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C38H54N8O8/c1-23(2)19-28-35(51)45-29(20-24-11-5-3-6-12-24)36(52)41-26(15-9-10-18-39)33(49)46-31(22-47)38(54)42-27(16-17-32(40)48)34(50)44-30(37(53)43-28)21-25-13-7-4-8-14-25/h3-8,11-14,23,26-31,47H,9-10,15-22,39H2,1-2H3,(H2,40,48)(H,41,52)(H,42,54)(H,43,53)(H,44,50)(H,45,51)(H,46,49)/t26-,27-,28-,29+,30+,31+/m0/s1
InChIKeyHMXRHVCZYGEXRQ-JYMVZIKVSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdusspecies (ncbitaxon:51785) - PubMed (24816640)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ambactin (CHEBI:198441) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(2S,5R,8S,11R,14S,17R)-14-(4-aminobutyl)-5,11-dibenzyl-17-(hydroxymethyl)-8-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propanamide
Manual XrefsDatabases
78440010ChemSpider