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CHEBI:213840 - Cyanopeptolin CP962

ChEBI IDCHEBI:213840
ChEBI NameCyanopeptolin CP962
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H66N10O13
Net Charge0
Average Mass979.102
Monoisotopic Mass978.48108
SMILESCCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CCCN=C(N)N)C(=O)NC2CCC(O)N(C2=O)C(Cc2ccccc2)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)OC1C
InChIInChI=1S/C47H66N10O13/c1-6-11-35(59)51-32(24-37(61)62)41(64)55-39-26(4)70-46(69)38(25(2)3)54-42(65)33(22-28-15-17-29(58)18-16-28)56(5)45(68)34(23-27-12-8-7-9-13-27)57-36(60)20-19-31(44(57)67)53-40(63)30(52-43(39)66)14-10-21-50-47(48)49/h7-9,12-13,15-18,25-26,30-34,36,38-39,58,60H,6,10-11,14,19-24H2,1-5H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)
InChIKeyMLBXACTYSJSPGO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nostoc edaphicum CCNP1411 (ncbitaxon:1472755) - PubMed (29949853)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyanopeptolin CP962 (CHEBI:213840) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
4-[[2-benzyl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(butanoylamino)-4-oxobutanoic acid
Manual XrefsDatabases
78444465ChemSpider