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CHEBI:226866 - Microginin SD755

ChEBI IDCHEBI:226866
ChEBI NameMicroginin SD755
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H61N5O9
Net Charge0
Average Mass755.954
Monoisotopic Mass755.44693
SMILESCCCCCC(NC)C(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@@H](C)CC)C(C)C
InChIInChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
InChIKeyLGIDGQNWZFGZCH-WVNIJTHNSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - DOI (10.1016/s0040-4020(01)00141-7)
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 SD755 (CHEBI:226866) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-hydroxy-3-(methylamino)octanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
8684706ChemSpider