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CHEBI:213835 - Cyanopeptolin CP985

ChEBI IDCHEBI:213835
ChEBI NameCyanopeptolin CP985
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H63N7O14
Net Charge0
Average Mass986.089
Monoisotopic Mass985.44330
SMILESCCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(Cc2ccc(O)cc2)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/C50H63N7O14/c1-6-10-39(60)51-36(26-41(62)63)45(65)55-43-28(4)71-50(70)42(27(2)3)54-46(66)37(24-31-15-19-33(59)20-16-31)56(5)49(69)38(25-29-11-8-7-9-12-29)57-40(61)22-21-34(48(57)68)52-44(64)35(53-47(43)67)23-30-13-17-32(58)18-14-30/h7-9,11-20,27-28,34-38,40,42-43,58-59,61H,6,10,21-26H2,1-5H3,(H,51,60)(H,52,64)(H,53,67)(H,54,66)(H,55,65)(H,62,63)
InChIKeyDYRQEOZVTZDRBA-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 CP985 (CHEBI:213835) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
4-[[2-benzyl-21-hydroxy-5,15-bis[(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
78444464ChemSpider