EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215979 - Nostopeptin A

ChEBI IDCHEBI:215979
ChEBI NameNostopeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H74N8O12
Net Charge0
Average Mass955.164
Monoisotopic Mass954.54262
SMILESCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC(C)C2OC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc3ccc(O)cc3)N(C)C(=O)[C@H]([C@@H](C)CC)N3C(=O)C(CCC3O)NC(=O)[C@H](CC(C)C)NC(=O)C21
InChIInChI=1S/C48H74N8O12/c1-10-13-36(59)50-31(18-20-35(49)58)45(64)55-24-28(8)41-40(55)44(63)52-33(22-25(4)5)42(61)51-32-19-21-37(60)56(46(32)65)39(27(7)12-3)47(66)54(9)34(23-29-14-16-30(57)17-15-29)43(62)53-38(26(6)11-2)48(67)68-41/h14-17,25-28,31-34,37-41,57,60H,10-13,18-24H2,1-9H3,(H2,49,58)(H,50,59)(H,51,61)(H,52,63)(H,53,62)/t26-,27-,28?,31-,32?,33-,34-,37?,38-,39-,40?,41?/m0/s1
InChIKeyKKMAWFNZQASNQS-LQKKIDTDSA-N
Species of MetaboliteComponentSourceComments
Nostoc minutum (ncbitaxon:1841509) - DOI (10.1021/np960649a)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nostopeptin A (CHEBI:215979) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(4S)-5-[(4S,14S,17S,20S)-14,20-bis[(2S)-butan-2-yl]-22-hydroxy-17-[(4-hydroxyphenyl)methyl]-10,18-dimethyl-4-(2-methylpropyl)-3,6,13,16,19,25-hexaoxo-12-oxa-2,5,8,15,18,21-hexazatricyclo[19.3.1.07,11]pentacosan-8-yl]-4-(butanoylamino)-5-oxopentanamide
Manual XrefsDatabases
78445192ChemSpider