Microginin KR835 (CHEBI:213827)

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CHEBI:213827 - Microginin KR835

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ChEBI ID	CHEBI:213827
ChEBI Name	Microginin KR835
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C41H59Cl2N5O9
Net Charge	0
Average Mass	836.855
Monoisotopic Mass	835.36898
SMILES	CN[C@@H](CCCCCCC(Cl)Cl)[C@H](O)C(=O)N[C@H](Cc1ccc(O)cc1)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
InChI	InChI=1S/C41H59Cl2N5O9/c1-25(2)22-34(40(55)48-21-9-11-33(48)37(52)46-32(41(56)57)24-27-15-19-29(50)20-16-27)47(4)39(54)31(23-26-13-17-28(49)18-14-26)45-38(53)36(51)30(44-3)10-7-5-6-8-12-35(42)43/h13-20,25,30-36,44,49-51H,5-12,21-24H2,1-4H3,(H,45,53)(H,46,52)(H,56,57)/t30-,31+,32+,33-,34-,36-/m0/s1
InChIKey	FPYHKGATFMPWIC-ABESABPNSA-N

Species of Metabolite	Component	Source	Comments
Microcystisspecies (ncbitaxon:1127)	-	PubMed (29498640)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Microginin KR835 (CHEBI:213827) is a peptide (CHEBI:16670)

IUPAC Name
(2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-10,10-dichloro-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid