Microcolin B (CHEBI:203334)

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CHEBI:203334 - Microcolin B

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ChEBI ID	CHEBI:203334
ChEBI Name	Microcolin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H65N5O8
Net Charge	0
Average Mass	731.976
Monoisotopic Mass	731.48331
SMILES	CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C)C(C)OC(C)=O
InChI	InChI=1S/C39H65N5O8/c1-13-14-16-25(6)22-26(7)36(48)41(11)31(21-23(2)3)35(47)40-33(28(9)52-29(10)45)38(50)42(12)34(24(4)5)39(51)43-20-15-17-30(43)37(49)44-27(8)18-19-32(44)46/h18-19,23-28,30-31,33-34H,13-17,20-22H2,1-12H3,(H,40,47)/t25-,26-,27+,28?,30+,31+,33+,34+/m1/s1
InChIKey	MNASOWORUXKEPP-RKVCBYGQSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	DOI (10.1021/np50083a009)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microcolin B (CHEBI:203334) is a peptide (CHEBI:16670)

IUPAC Name
[(3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-4-[methyl-[(2S)-3-methyl-1-[(2S)-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-oxobutan-2-yl] acetate

Manual Xrefs	Databases
78439657	ChemSpider