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CHEBI:212810 - Nostopeptin B

ChEBI IDCHEBI:212810
ChEBI NameNostopeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H70N8O12
Net Charge0
Average Mass927.110
Monoisotopic Mass926.51132
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)C(CCC2O)NC(=O)[C@H](CC(C)C)NC(=O)C2C(OC1=O)C(C)CN2C(=O)[C@H](CCC(N)=O)NC(C)=O
InChIInChI=1S/C46H70N8O12/c1-10-24(5)36-46(65)66-39-26(7)22-53(43(62)30(48-27(8)55)16-18-34(47)57)38(39)42(61)50-32(20-23(3)4)40(59)49-31-17-19-35(58)54(44(31)63)37(25(6)11-2)45(64)52(9)33(41(60)51-36)21-28-12-14-29(56)15-13-28/h12-15,23-26,30-33,35-39,56,58H,10-11,16-22H2,1-9H3,(H2,47,57)(H,48,55)(H,49,59)(H,50,61)(H,51,60)/t24-,25-,26?,30-,31?,32-,33-,35?,36-,37-,38?,39?/m0/s1
InChIKeyQMXYZAMGCKYKHQ-FHNQGLGHSA-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 B (CHEBI:212810) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(4S)-4-acetamido-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]-5-oxopentanamide
Manual XrefsDatabases
78445177ChemSpider