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CHEBI:213852 - Cyanopeptolin CP1018

ChEBI IDCHEBI:213852
ChEBI NameCyanopeptolin CP1018
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H75N9O12
Net Charge0
Average Mass1018.223
Monoisotopic Mass1017.55352
SMILESCCCCCCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CCCCC(=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/C52H75N9O12/c1-6-7-8-9-16-25-41(62)55-37(30-43(64)65)47(67)59-45-32(4)73-52(72)44(31(2)3)58-48(68)38(28-33-19-12-10-13-20-33)60(5)51(71)39(29-34-21-14-11-15-22-34)61-42(63)27-26-36(50(61)70)57-46(66)35(56-49(45)69)23-17-18-24-40(53)54/h10-15,19-22,31-32,35-39,42,44-45,63H,6-9,16-18,23-30H2,1-5H3,(H3,53,54)(H,55,62)(H,56,69)(H,57,66)(H,58,68)(H,59,67)(H,64,65)
InChIKeyOHUDQTQGOGEDNO-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 CP1018 (CHEBI:213852) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
4-[[15-(5-amino-5-iminopentyl)-2,5-dibenzyl-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-(octanoylamino)-4-oxobutanoic acid