CHEBI:214590 - Kakeromamide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kakeromamide A
ChEBI ID CHEBI:214590
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H58N6O7S
Net Charge 0
Average Mass 791.020
Monoisotopic Mass 790.40877
InChI InChI=1S/C42H58N6O7S/c1-11-12-31-26(6)37(49)46-36(25(4)5)42(53)48(8)34(22-28-15-19-30(55-10)20-16-28)41(52)47(7)33(21-27-13-17-29(54-9)18-14-27)39(51)45-35(24(2)3)40-44-32(23-56-40)38(50)43-31/h13-20,23-26,31,33-36H,11-12,21-22H2,1-10H3,(H,43,50)(H,45,51)(H,46,49)/t26-,31-,33+,34+,35+,36+/m1/s1
InChIKey KLPNJQKYFZVGOK-CDFZFYIQSA-N
SMILES S1C2=NC(=C1)C(=O)N[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(N([C@H](C(N([C@H](C(N[C@H]2C(C)C)=O)CC3=CC=C(OC)C=C3)C)=O)CC4=CC=C(OC)C=C4)C)=O)C)CCC
Metabolite of Species Details
Moorena bouillonii (NCBI:txid207920) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Kakeromamide A (CHEBI:214590) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S,5S,8S,11S,14R,15R)-5,8-bis[(4-methoxyphenyl)methyl]-6,9,14-trimethyl-2,11-di(propan-2-yl)-15-propyl-20-thia-3,6,9,12,16,21-hexazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone