Microcolin A (CHEBI:199075)

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CHEBI:199075 - Microcolin A

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ChEBI ID	CHEBI:199075
ChEBI Name	Microcolin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H65N5O9
Net Charge	0
Average Mass	747.975
Monoisotopic Mass	747.47823
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)N1C[C@@H](O)C[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C)C(C)OC(C)=O
InChI	InChI=1S/C39H65N5O9/c1-13-14-15-24(6)19-25(7)36(49)41(11)30(18-22(2)3)35(48)40-33(27(9)53-28(10)45)38(51)42(12)34(23(4)5)39(52)43-21-29(46)20-31(43)37(50)44-26(8)16-17-32(44)47/h16-17,22-27,29-31,33-34,46H,13-15,18-21H2,1-12H3,(H,40,48)/t24-,25-,26+,27?,29+,30+,31+,33+,34+/m1/s1
InChIKey	MSXKGFVHTYHBSG-VPMUVMFGSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	DOI (10.1016/s0024-3205(96)00645-5)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microcolin A (CHEBI:199075) is a peptide (CHEBI:16670)

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

Manual Xrefs	Databases
26394738	ChemSpider