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CHEBI:205714 - Microginin 478

ChEBI IDCHEBI:205714
ChEBI NameMicroginin 478
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H63N5O9
Net Charge0
Average Mass769.981
Monoisotopic Mass769.46258
SMILESCCCCCCC[C@H](NC)[C@H](O)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C41H63N5O9/c1-9-10-11-12-13-14-31(42-6)36(49)38(51)44-34(25(2)3)39(52)46(8)35(26(4)5)40(53)45(7)33(24-28-17-21-30(48)22-18-28)37(50)43-32(41(54)55)23-27-15-19-29(47)20-16-27/h15-22,25-26,31-36,42,47-49H,9-14,23-24H2,1-8H3,(H,43,50)(H,44,51)(H,54,55)/t31-,32-,33-,34-,35-,36-/m0/s1
InChIKeyZMXDUWZRGQQFIH-NGTAMTFRSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(00)00770-5)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microginin 478 (CHEBI:205714) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
8548455ChemSpider