Microginin 299-D (CHEBI:208285)

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CHEBI:208285 - Microginin 299-D

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ChEBI ID	CHEBI:208285
ChEBI Name	Microginin 299-D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H57Cl2N5O8
Net Charge	0
Average Mass	758.785
Monoisotopic Mass	757.35842
SMILES	CC(C)[C@H](NC(=O)[C@@H](O)[C@@H](N)CCCCCCC(Cl)Cl)C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C
InChI	InChI=1S/C36H57Cl2N5O8/c1-21(2)29(40-32(46)31(45)25(39)12-9-7-8-10-14-28(37)38)34(48)42(6)30(22(3)4)35(49)41(5)27(20-23-15-17-24(44)18-16-23)33(47)43-19-11-13-26(43)36(50)51/h15-18,21-22,25-31,44-45H,7-14,19-20,39H2,1-6H3,(H,40,46)(H,50,51)/t25-,26-,27-,29-,30-,31-/m0/s1
InChIKey	HTFQBZAJDJYYJL-JTLZFHFRSA-N

Species of Metabolite	Component	Source	Comments
Cyanobacterium (ncbitaxon:102234)	-	DOI (10.1016/s0040-4020(98)00826-6)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microginin 299-D (CHEBI:208285) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Manual Xrefs	Databases
8570779	ChemSpider