Cirratiomycin B (CHEBI:207056)

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CHEBI:207056 - Cirratiomycin B

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ChEBI ID	CHEBI:207056
ChEBI Name	Cirratiomycin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H47N9O11
Net Charge	0
Average Mass	685.736
Monoisotopic Mass	685.33950
SMILES	CC/C(C)=C(/NC(=O)[C@H](C)NC(=O)[C@@H]1CCC=NN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(N)(CO)CO)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)O
InChI	InChI=1S/C28H47N9O11/c1-6-13(2)19(24(44)34-17(10-38)26(46)47)35-21(41)15(4)32-23(43)18-8-7-9-31-37(18)25(45)20(14(3)29)36-22(42)16(5)33-27(48)28(30,11-39)12-40/h9,14-18,20,38-40H,6-8,10-12,29-30H2,1-5H3,(H,32,43)(H,33,48)(H,34,44)(H,35,41)(H,36,42)(H,46,47)/b19-13+/t14-,15-,16-,17-,18-,20-/m0/s1
InChIKey	JIGYSKMCUNIKPN-KYVSZOTASA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1080/00021369.1982.10865166)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cirratiomycin B (CHEBI:207056) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]propanoyl]amino]-3-methylpent-2-enoyl]amino]-3-hydroxypropanoic acid

Manual Xrefs	Databases
4587175	ChemSpider