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CHEBI:207218 - Microginin 91-B

ChEBI IDCHEBI:207218
ChEBI NameMicroginin 91-B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50Cl2N4O6
Net Charge0
Average Mass609.636
Monoisotopic Mass608.31074
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](O)[C@H](N)CCCCCCC(Cl)Cl)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C28H50Cl2N4O6/c1-6-18(4)23(32-25(36)24(35)19(31)12-9-7-8-10-14-22(29)30)27(38)33(5)21(16-17(2)3)26(37)34-15-11-13-20(34)28(39)40/h17-24,35H,6-16,31H2,1-5H3,(H,32,36)(H,39,40)/t18-,19+,20-,21-,23-,24+/m0/s1
InChIKeyJRCJKKSDWXJOMP-ZNNXEISXSA-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-B (CHEBI:207218) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
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