Microginin 91-E (CHEBI:217642)

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CHEBI:217642 - Microginin 91-E

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ChEBI ID	CHEBI:217642
ChEBI Name	Microginin 91-E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H59Cl2N5O8
Net Charge	0
Average Mass	772.812
Monoisotopic Mass	771.37407
SMILES	CC[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)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI	InChI=1S/C37H59Cl2N5O8/c1-6-23(4)31(42-34(48)32(46)26(40)12-9-7-8-10-14-30(38)39)36(50)43(5)29(20-22(2)3)35(49)44-19-11-13-28(44)33(47)41-27(37(51)52)21-24-15-17-25(45)18-16-24/h15-18,22-23,26-32,45-46H,6-14,19-21,40H2,1-5H3,(H,41,47)(H,42,48)(H,51,52)/t23-,26+,27-,28-,29-,31-,32+/m0/s1
InChIKey	AJANMHKQVWDPQL-OBYHAHFLSA-N

Species of Metabolite	Component	Source	Comments
Cyanobacterium (ncbitaxon:102234)	-	DOI (10.1016/s0040-4020(00)00770-5)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microginin 91-E (CHEBI:217642) is a peptide (CHEBI:16670)

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

Manual Xrefs	Databases
8548477	ChemSpider