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CHEBI:214323 - [D-Asp3,D-MeO-Glu6]MC-LAba

ChEBI IDCHEBI:214323
ChEBI Name[D-Asp3,D-MeO-Glu6]MC-LAba
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)CC(=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)OC)CCC(=O)N1C
InChIInChI=1S/C47H69N7O12/c1-12-33-44(60)50-34(19-18-27(4)23-28(5)38(65-10)24-32-16-14-13-15-17-32)29(6)41(57)51-35(47(64)66-11)20-21-40(56)54(9)31(8)43(59)48-30(7)42(58)52-36(22-26(2)3)45(61)53-37(46(62)63)25-39(55)49-33/h13-19,23,26,28-30,33-38H,8,12,20-22,24-25H2,1-7,9-11H3,(H,48,59)(H,49,55)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,62,63)/b19-18+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
InChIKeyMBMJHNCKPVQQHC-DLKNYIFCSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (20619941)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[D-Asp3,D-MeO-Glu6]MC-LAba (CHEBI:214323) is a peptide (CHEBI:16670)
IUPAC Name 
(5R,8S,11R,15S,18S,19S,22R)-15-ethyl-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid