Valgamicin C (CHEBI:226596)

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CHEBI:226596 - Valgamicin C

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ChEBI ID	CHEBI:226596
ChEBI Name	Valgamicin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H50N4O9
Net Charge	0
Average Mass	622.760
Monoisotopic Mass	622.35778
SMILES	CC(C)[C@@H]1OC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C2(O)CC2)NC1=O
InChI	InChI=1S/C31H50N4O9/c1-15(2)20-29(40)44-23(18(7)8)27(38)34(9)21(16(3)4)30(41)43-22(17(5)6)26(37)33-24(31(42)12-13-31)28(39)35-14-10-11-19(35)25(36)32-20/h15-24,42H,10-14H2,1-9H3,(H,32,36)(H,33,37)/t19-,20+,21+,22-,23-,24-/m0/s1
InChIKey	JCPCKJXCAPNLKN-ZUYVPRDGSA-N

Species of Metabolite	Component	Source	Comments
Amycolatopsis (ncbitaxon:1813)	-	PubMed (29138482)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Valgamicin C (CHEBI:226596) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,6S,9R,12S,15R,18S)-3-(1-hydroxycyclopropyl)-10-methyl-6,9,12,15-tetra(propan-2-yl)-7,13-dioxa-1,4,10,16-tetrazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
78438834	ChemSpider