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CHEBI:208180 - Namalide B

ChEBI IDCHEBI:208180
ChEBI NameNamalide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H45N5O7
Net Charge0
Average Mass575.707
Monoisotopic Mass575.33190
SMILESCC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H]([C@H](C)CC)NC1=O)C(=O)O
InChIInChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18-,21-,22+,23+,24+/m1/s1
InChIKeyBEGARHAEPVBWAE-XKTNGNEZSA-N
Species of MetaboliteComponentSourceComments
Sphaerospermopsis torques-reginae ITEP-024 (ncbitaxon:984208) - PubMed (28876933)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Namalide B (CHEBI:208180) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S,3R)-2-[[(3S,6S,9R)-6-[(2R)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
Manual XrefsDatabases
78438998ChemSpider