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CHEBI:208231 - Thermoactinoamide A

ChEBI IDCHEBI:208231
ChEBI NameThermoactinoamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62N6O7
Net Charge0
Average Mass714.949
Monoisotopic Mass714.46800
SMILESCC[C@H](C)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C38H62N6O7/c1-11-24(10)32-38(51)42-30(19-25-12-14-26(45)15-13-25)36(49)43-31(23(8)9)37(50)41-28(17-21(4)5)34(47)39-27(16-20(2)3)33(46)40-29(18-22(6)7)35(48)44-32/h12-15,20-24,27-32,45H,11,16-19H2,1-10H3,(H,39,47)(H,40,46)(H,41,50)(H,42,51)(H,43,49)(H,44,48)/t24-,27+,28-,29-,30+,31-,32+/m0/s1
InChIKeyUIQRJAVAEKADLA-IEWQEYRSSA-N
Species of MetaboliteComponentSourceComments
Thermoactinomyces vulgaris (ncbitaxon:2026) - PubMed (28841315)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thermoactinoamide A (CHEBI:208231) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3R,6S,9R,12S,15S,18R)-3-[(2S)-butan-2-yl]-18-[(4-hydroxyphenyl)methyl]-6,9,12-tris(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
62350571ChemSpider