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CHEBI:213864 - Cyanopeptolin CP990

ChEBI IDCHEBI:213864
ChEBI NameCyanopeptolin CP990
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H70N10O12
Net Charge0
Average Mass991.157
Monoisotopic Mass990.51747
SMILESCCCCCC(=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(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)OC1C
InChIInChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
InChIKeyHFRWIDDUABJXBW-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 CP990 (CHEBI:213864) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
4-[[2,5-dibenzyl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-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-(hexanoylamino)-4-oxobutanoic acid