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CHEBI:214070 - MC-NfkA

ChEBI IDCHEBI:214070
ChEBI NameMC-NfkA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H66N8O14
Net Charge0
Average Mass1015.131
Monoisotopic Mass1014.46985
SMILESC=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)c2ccccc2NC=O)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C
InChIInChI=1S/C51H66N8O14/c1-27(23-28(2)41(73-9)24-34-15-11-10-12-16-34)19-20-36-29(3)44(63)56-38(50(69)70)21-22-42(62)59(8)33(7)48(67)54-32(6)47(66)57-39(25-40(61)35-17-13-14-18-37(35)52-26-60)49(68)58-43(51(71)72)30(4)45(64)53-31(5)46(65)55-36/h10-20,23,26,28-32,36,38-39,41,43H,7,21-22,24-25H2,1-6,8-9H3,(H,52,60)(H,53,64)(H,54,67)(H,55,65)(H,56,63)(H,57,66)(H,58,68)(H,69,70)(H,71,72)/b20-19?,27-23+/t28-,29-,30-,31-,32+,36-,38+,39-,41-,43+/m0/s1
InChIKeyPLRHHYYFAQRVST-SVSPQYSWSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - DOI (10.3390/md11083025)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
MC-NfkA (CHEBI:214070) is a peptide (CHEBI:16670)
IUPAC Name 
(5R,8S,11R,12S,15S,18S,19S,22R)-8-[2-(2-ormamidophenyl)-2-oxoethyl]-18-[(3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid