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CHEBI:214032 - [Asp3] MC-FA

ChEBI IDCHEBI:214032
ChEBI Name[Asp3] MC-FA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H63N7O12
Net Charge0
Average Mass930.069
Monoisotopic Mass929.45347
SMILESC=C1C(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)O)CC(=O)NC(C)C(=O)NC(/C=C/C(C)=C/C(C)C(Cc2ccccc2)OC)C(C)C(=O)NC(C(=O)O)CCC(=O)N1C
InChIInChI=1S/C48H63N7O12/c1-27(23-28(2)39(67-8)25-34-17-13-10-14-18-34)19-20-35-29(3)42(58)52-36(47(63)64)21-22-41(57)55(7)32(6)45(61)50-31(5)44(60)53-37(24-33-15-11-9-12-16-33)46(62)54-38(48(65)66)26-40(56)49-30(4)43(59)51-35/h9-20,23,28-31,35-39H,6,21-22,24-26H2,1-5,7-8H3,(H,49,56)(H,50,61)(H,51,59)(H,52,58)(H,53,60)(H,54,62)(H,63,64)(H,65,66)/b20-19+,27-23+
InChIKeyGUVILIPFMOUSKE-NCQXFQPCSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (25402827)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[Asp3] MC-FA (CHEBI:214032) is a peptide (CHEBI:16670)
IUPAC Name 
8-benzyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,15,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid