Microcolin H (CHEBI:225350)

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CHEBI:225350 - Microcolin H

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ChEBI ID	CHEBI:225350
ChEBI Name	Microcolin H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H63N5O9
Net Charge	0
Average Mass	733.948
Monoisotopic Mass	733.46258
SMILES	CCCCCC[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@@H](C)OC(C)=O
InChI	InChI=1S/C38H63N5O9/c1-12-13-14-15-16-24(6)35(48)40(10)29(19-22(2)3)34(47)39-32(26(8)52-27(9)44)37(50)41(11)33(23(4)5)38(51)42-21-28(45)20-30(42)36(49)43-25(7)17-18-31(43)46/h17-18,22-26,28-30,32-33,45H,12-16,19-21H2,1-11H3,(H,39,47)/t24-,25+,26-,28+,29+,30+,32+,33+/m1/s1
InChIKey	VVVUQZUDSPOQAQ-PEYQGHOASA-N

Species of Metabolite	Component	Source	Comments
Moorena producens (ncbitaxon:1155739)	-	PubMed (31468974)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microcolin H (CHEBI:225350) is a peptide (CHEBI:16670)

IUPAC Name
[(2R,3S)-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]-3-[[(2S)-4-methyl-2-[methyl-[(2R)-2-methyloctanoyl]amino]pentanoyl]amino]-4-oxobutan-2-yl] acetate

Manual Xrefs	Databases
81163320	ChemSpider