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CHEBI:203961 - Microginin 91-C

ChEBI IDCHEBI:203961
ChEBI NameMicroginin 91-C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H61N5O8
Net Charge0
Average Mass703.922
Monoisotopic Mass703.45201
SMILESCCCCCCC[C@@H](N)[C@@H](O)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC
InChIInChI=1S/C37H61N5O8/c1-7-9-10-11-12-14-27(38)32(44)34(46)40-31(24(5)8-2)36(48)41(6)30(21-23(3)4)35(47)42-20-13-15-29(42)33(45)39-28(37(49)50)22-25-16-18-26(43)19-17-25/h16-19,23-24,27-32,43-44H,7-15,20-22,38H2,1-6H3,(H,39,45)(H,40,46)(H,49,50)/t24-,27+,28-,29-,30-,31-,32+/m0/s1
InChIKeyADNMWMDCUDFUHQ-GPRDHDTNSA-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 91-C (CHEBI:203961) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-amino-2-hydroxydecanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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