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CHEBI:213625 - Microphycin KB921

ChEBI IDCHEBI:213625
ChEBI NameMicrophycin KB921
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H63N9O9
Net Charge0
Average Mass922.097
Monoisotopic Mass921.47487
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C49H63N9O9/c1-29(2)25-36-45(63)55-38(27-33-17-10-6-11-18-33)47(65)56-39(28-34-19-12-7-13-20-34)46(64)54-37(26-32-15-8-5-9-16-32)44(62)51-30(3)42(60)53-35(22-23-41(50)59)43(61)52-31(4)49(67)58-24-14-21-40(58)48(66)57-36/h5-13,15-20,29-31,35-40H,14,21-28H2,1-4H3,(H2,50,59)(H,51,62)(H,52,61)(H,53,60)(H,54,64)(H,55,63)(H,56,65)(H,57,66)/t30-,31+,35-,36-,37-,38-,39-,40-/m0/s1
InChIKeyLPFPRCWRCQGJHJ-ZRIGGFENSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - PubMed (25884445)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microphycin KB921 (CHEBI:213625) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3R,6S,9S,12S,15S,18S,21S,24S)-12,15,18-tribenzyl-3,9-dimethyl-21-(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosan-6-yl]propanamide