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CHEBI:214634 - MC-LBu

ChEBI IDCHEBI:214634
ChEBI NameMC-LBu
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H69N7O12
Net Charge0
Average Mass924.106
Monoisotopic Mass923.50042
SMILESC=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CC)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/C47H69N7O12/c1-12-33-44(60)50-34(19-18-26(4)23-27(5)37(66-11)24-32-16-14-13-15-17-32)28(6)40(56)51-35(46(62)63)20-21-38(55)54(10)31(9)43(59)48-30(8)42(58)52-36(22-25(2)3)45(61)53-39(47(64)65)29(7)41(57)49-33/h13-19,23,25,27-30,33-37,39H,9,12,20-22,24H2,1-8,10-11H3,(H,48,59)(H,49,57)(H,50,60)(H,51,56)(H,52,58)(H,53,61)(H,62,63)(H,64,65)/b19-18+,26-23+/t27-,28-,29-,30+,33-,34-,35+,36-,37-,39+/m0/s1
InChIKeyXPANWVSGPFXZCM-GZGPOYOASA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - DOI (10.1046/j.1440-1835.1998.00119.x)
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-LBu (CHEBI:214634) is a peptide (CHEBI:16670)
IUPAC Name 
(5R,8S,11R,12S,15S,18S,19S,22R)-15-ethyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid