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CHEBI:201353 - Amphibactin S

ChEBI IDCHEBI:201353
ChEBI NameAmphibactin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H67N7O13
Net Charge0
Average Mass829.990
Monoisotopic Mass829.47969
SMILESCCCCCC/C=C\CCCCCC(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CO)C(=O)NC(CCCN(O)C(C)=O)C(=O)O
InChIInChI=1S/C38H67N7O13/c1-5-6-7-8-9-10-11-12-13-14-15-22-34(50)39-30(19-16-23-43(56)27(2)47)35(51)40-31(20-17-24-44(57)28(3)48)36(52)42-33(26-46)37(53)41-32(38(54)55)21-18-25-45(58)29(4)49/h10-11,30-33,46,56-58H,5-9,12-26H2,1-4H3,(H,39,50)(H,40,51)(H,41,53)(H,42,52)(H,54,55)/b11-10-
InChIKeyQBAAWVRZTJMDSW-KHPPLWFESA-N
Species of MetaboliteComponentSourceComments
Vibrio (ncbitaxon:662) - PubMed (20853137)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Amphibactin S (CHEBI:201353) is a oligopeptide (CHEBI:25676)
IUPAC Name 
5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-[[(Z)-tetradec-7-enoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Manual XrefsDatabases
27026560ChemSpider