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CHEBI:212062 - Mutanobactin A

ChEBI IDCHEBI:212062
ChEBI NameMutanobactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60N6O7S
Net Charge0
Average Mass720.978
Monoisotopic Mass720.42442
SMILESCCCCCCCCCC(=O)C1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)NC2CSC1CNC2=O
InChIInChI=1S/C36H60N6O7S/c1-7-8-9-10-11-12-13-16-27(43)29-28-19-37-31(44)25(20-50-28)40-35(48)30(22(4)5)41-33(46)26-15-14-17-42(26)36(49)23(6)38-32(45)24(18-21(2)3)39-34(29)47/h21-26,28-30H,7-20H2,1-6H3,(H,37,44)(H,38,45)(H,39,47)(H,40,48)(H,41,46)/t23-,24+,25?,26+,28?,29?,30+/m1/s1
InChIKeyWDKYFUSPNIQGDO-IBCSGKGJSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans UA159 (ncbitaxon:210007) - PubMed (20852771)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mutanobactin A (CHEBI:212062) is a peptide (CHEBI:16670)
IUPAC Name 
(4S,7S,13R,16S)-19-decanoyl-13-methyl-16-(2-methylpropyl)-4-propan-2-yl-25-thia-2,5,11,14,17,22-hexazatricyclo[18.3.2.07,11]pentacosane-3,6,12,15,18,23-hexone
Manual XrefsDatabases
78445452ChemSpider