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CHEBI:204739 - Nostofungicidine

ChEBI IDCHEBI:204739
ChEBI NameNostofungicidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H76N10O18
Net Charge0
Average Mass1081.188
Monoisotopic Mass1080.53391
SMILESCCCCCCCCCCCCC(O)CCC1CC(=O)NCC(=O)NC(CO)C(=O)N2CC(O)CC2C(=O)NC(CO)C(=O)NC(C(O)c2ccc(O)cc2)C(=O)NC(C(O)C(N)=O)C(=O)NC(C(O)C(N)=O)C(=O)N1
InChIInChI=1S/C48H76N10O18/c1-2-3-4-5-6-7-8-9-10-11-12-27(61)18-15-26-19-33(64)51-21-34(65)53-31(24-60)48(76)58-22-29(63)20-32(58)44(72)54-30(23-59)43(71)55-35(38(66)25-13-16-28(62)17-14-25)46(74)57-37(40(68)42(50)70)47(75)56-36(45(73)52-26)39(67)41(49)69/h13-14,16-17,26-27,29-32,35-40,59-63,66-68H,2-12,15,18-24H2,1H3,(H2,49,69)(H2,50,70)(H,51,64)(H,52,73)(H,53,65)(H,54,72)(H,55,71)(H,56,75)(H,57,74)
InChIKeyIDDRLYONDGIWOT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nostoc commune (ncbitaxon:1178) - DOI (10.1016/s0040-4039(98)00573-5)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nostofungicidine (CHEBI:204739) is a peptide (CHEBI:16670)
IUPAC Name 
2-[16-(2-amino-1-hydroxy-2-oxoethyl)-27-hydroxy-19-[hydroxy-(4-hydroxyphenyl)methyl]-3,22-bis(hydroxymethyl)-10-(3-hydroxypentadecyl)-2,5,8,12,15,18,21,24-octaoxo-1,4,7,11,14,17,20,23-octazabicyclo[23.3.0]octacosan-13-yl]-2-hydroxyacetamide
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8971517ChemSpider