validamycin B (CHEBI:90868)

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CHEBI:90868 - validamycin B

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ChEBI ID	CHEBI:90868
ChEBI Name	validamycin B
Stars
Definition	A member of the class of validamycins that is validamycin A in which the pro-R hydrogen at the unsubstituted position of the cycloxexane ring has been replaced by a hydroxy group.
Last Modified	22 February 2016
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C20H35NO14
Net Charge	0
Average Mass	513.493
Monoisotopic Mass	513.20575
SMILES	OCC1=C[C@H](N[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C20H35NO14/c22-2-5-1-7(12(27)15(30)10(5)25)21-9-11(26)6(3-23)19(17(32)14(9)29)35-20-18(33)16(31)13(28)8(4-24)34-20/h1,6-33H,2-4H2/t6-,7-,8+,9-,10+,11+,12-,13+,14-,15-,16-,17+,18+,19+,20-/m0/s1
InChIKey	QYKWCMVFBWGYRE-XROCGEGMSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces hygroscopicus subsp. limoneus (ncbitaxon:264445)	-	PubMed (22961651)

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. fungicide A substance used to destroy fungal pests. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Application:	fungicide A substance used to destroy fungal pests.

ChEBI Ontology

Outgoing Relation(s)
	validamycin B (CHEBI:90868) is a antibiotic fungicide (CHEBI:87114)
	validamycin B (CHEBI:90868) is a polyol (CHEBI:26191)
	validamycin B (CHEBI:90868) is a secondary amino compound (CHEBI:50995)
	validamycin B (CHEBI:90868) is a validamycins (CHEBI:83745)

IUPAC Name
(1R,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl β-D-glucopyranoside

Synonyms	Source
Antibiotic T-7545-B	ChemIDplus
T-7545-B	ChemIDplus
Val-B	ChEBI

UniProt Name	Source
validamycin B	UniProt

Manual Xrefs	Databases
CPD-18790	MetaCyc
HMDB0036593	HMDB

Registry Numbers	Sources
Reaxys:5187663	Reaxys
CAS:102583-47-1	ChemIDplus

Citations