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CHEBI:224456 - Nostophycin

ChEBI IDCHEBI:224456
ChEBI NameNostophycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H64N8O10
Net Charge0
Average Mass889.064
Monoisotopic Mass888.47454
SMILESCC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](O)[C@@H](C[C@H](O)CCCc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C46H64N8O10/c1-3-28(2)39-46(64)54-24-12-20-36(54)44(62)50-33(26-31(55)18-10-17-29-13-6-4-7-14-29)40(58)45(63)49-32(21-22-37(47)56)41(59)48-27-38(57)53-23-11-19-35(53)43(61)51-34(42(60)52-39)25-30-15-8-5-9-16-30/h4-9,13-16,28,31-36,39-40,55,58H,3,10-12,17-27H2,1-2H3,(H2,47,56)(H,48,59)(H,49,63)(H,50,62)(H,51,61)(H,52,60)/t28-,31-,32-,33-,34+,35+,36+,39-,40+/m1/s1
InChIKeyUQSINWJOXDSXPH-XHECVERBSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies 152 (ncbitaxon:213632) - DOI (10.1021/jo982306i)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nostophycin (CHEBI:224456) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(3R,6S,9S,18R,21S,22R,25S)-6-benzyl-3-[(2R)-butan-2-yl]-21-hydroxy-22-[(2R)-2-hydroxy-5-phenylpentyl]-2,5,8,14,17,20,24-heptaoxo-1,4,7,13,16,19,23-heptazatricyclo[23.3.0.09,13]octacosan-18-yl]propanamide
Manual XrefsDatabases
8899707ChemSpider