Microginin GH787 (CHEBI:208166)

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CHEBI:208166 - Microginin GH787

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ChEBI ID	CHEBI:208166
ChEBI Name	Microginin GH787
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H58ClN5O9
Net Charge	0
Average Mass	788.383
Monoisotopic Mass	787.39231
SMILES	CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](O)[C@H](N)CCCCCCCCl
InChI	InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
InChIKey	XYGVUPXPWWMUAK-YGKFCERESA-N

Species of Metabolite	Component	Source	Comments
Microcystisspecies (ncbitaxon:1127)	-	DOI (10.1016/j.tet.2011.04.042)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microginin GH787 (CHEBI:208166) is a peptide (CHEBI:16670)

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

Manual Xrefs	Databases
28288773	ChemSpider