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CHEBI:213879 - Cyanopeptolin CP1013

ChEBI IDCHEBI:213879
ChEBI NameCyanopeptolin CP1013
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H67N7O14
Net Charge0
Average Mass1014.143
Monoisotopic Mass1013.47460
SMILESCCCCCC(=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/C52H67N7O14/c1-6-7-9-14-41(62)53-38(28-43(64)65)47(67)57-45-30(4)73-52(72)44(29(2)3)56-48(68)39(26-33-17-21-35(61)22-18-33)58(5)51(71)40(27-31-12-10-8-11-13-31)59-42(63)24-23-36(50(59)70)54-46(66)37(55-49(45)69)25-32-15-19-34(60)20-16-32/h8,10-13,15-22,29-30,36-40,42,44-45,60-61,63H,6-7,9,14,23-28H2,1-5H3,(H,53,62)(H,54,66)(H,55,69)(H,56,68)(H,57,67)(H,64,65)
InChIKeyNRHWSONYEDJRPT-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 CP1013 (CHEBI:213879) 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-(hexanoylamino)-4-oxobutanoic acid