Quinomycin G (CHEBI:224416)

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CHEBI:224416 - Quinomycin G

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ChEBI ID	CHEBI:224416
ChEBI Name	Quinomycin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C51H64N12O12S2
Net Charge	0
Average Mass	1101.279
Monoisotopic Mass	1100.42081
SMILES	C=C(NC(=O)c1cnc2ccccc2n1)C(=O)N[C@@H](C)C(=O)N(C)[C@H]1CSC(SC)[C@@H](C(=O)N(C)[C@H](C(=O)O)C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](NC(=O)c2cnc3ccccc3n2)COC(=O)[C@H](C(C)C)N(C)C1=O
InChI	InChI=1S/C51H64N12O12S2/c1-25(2)38(49(72)73)61(9)48(71)40-51(76-12)77-24-37(60(8)45(68)28(6)55-41(64)27(5)54-42(65)34-21-52-30-17-13-15-19-32(30)57-34)47(70)62(10)39(26(3)4)50(74)75-23-36(44(67)56-29(7)46(69)63(40)11)59-43(66)35-22-53-31-18-14-16-20-33(31)58-35/h13-22,25-26,28-29,36-40,51H,5,23-24H2,1-4,6-12H3,(H,54,65)(H,55,64)(H,56,67)(H,59,66)(H,72,73)/t28-,29-,36+,37-,38-,39-,40+,51?/m0/s1
InChIKey	ADNJLVHPFULEDD-DBFOERGLSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies LS298 (ncbitaxon:645505)	-	PubMed (26593927)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Quinomycin G (CHEBI:224416) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2S)-3-methyl-2-[methyl-[(3S,6R,10R,13S,16R)-4,11,13-trimethyl-6-[methyl-[(2S)-2-[2-(quinoxaline-2-carbonylamino)prop-2-enoylamino]propanoyl]amino]-9-methylsulanyl-2,5,12,15-tetraoxo-3-propan-2-yl-16-(quinoxaline-2-carbonylamino)-1-oxa-8-thia-4,11,14-triazacycloheptadecane-10-carbonyl]amino]butanoic acid

Manual Xrefs	Databases
44210837	ChemSpider