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CHEBI:213443 - Nostophycin C

ChEBI IDCHEBI:213443
ChEBI NameNostophycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H64N8O9
Net Charge0
Average Mass873.065
Monoisotopic Mass872.47963
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(O)C(CCCCCc2ccccc2)NC(=O)[C@H]2CCCN2C1=O
InChIInChI=1S/C46H64N8O9/c1-3-29(2)39-46(63)54-26-14-22-36(54)44(61)49-32(20-12-6-9-17-30-15-7-4-8-16-30)40(57)45(62)50-33(23-24-37(47)55)41(58)48-28-38(56)53-25-13-21-35(53)43(60)51-34(42(59)52-39)27-31-18-10-5-11-19-31/h4-5,7-8,10-11,15-16,18-19,29,32-36,39-40,57H,3,6,9,12-14,17,20-28H2,1-2H3,(H2,47,55)(H,48,58)(H,49,61)(H,50,62)(H,51,60)(H,52,59)/t29-,32?,33-,34+,35+,36+,39+,40?/m0/s1
InChIKeyJBCVJFHMINXNLJ-HPUWJYQJSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies 152 (ncbitaxon:213632) - PubMed (21948844)
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 C (CHEBI:213443) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3R,6R,9R,18S,25R)-6-benzyl-3-[(2S)-butan-2-yl]-21-hydroxy-2,5,8,14,17,20,24-heptaoxo-22-(5-phenylpentyl)-1,4,7,13,16,19,23-heptazatricyclo[23.3.0.09,13]octacosan-18-yl]propanamide