validoxylamine A 7'-phosphate(1-) (CHEBI:111504)

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CHEBI:111504 - validoxylamine A 7'-phosphate(1−)

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ChEBI ID	CHEBI:111504
ChEBI Name	validoxylamine A 7'-phosphate(1−)
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ASCII Name	validoxylamine A 7'-phosphate(1-)
Definition	An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of validoxylamine A 7'-phosphate; major species at pH 7.3.
Last Modified	17 May 2016
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C14H25NO11P
Net Charge	-1
Average Mass	414.324
Monoisotopic Mass	414.11707
SMILES	O=P([O-])([O-])OC[C@H]1C[C@H]([NH2+][C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C14H26NO11P/c16-3-5-1-7(11(19)13(21)9(5)17)15-8-2-6(4-26-27(23,24)25)10(18)14(22)12(8)20/h1,6-22H,2-4H2,(H2,23,24,25)/p-1/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1
InChIKey	ZKSTYMJGEHZSFH-MBABXGOBSA-M

ChEBI Ontology

Outgoing Relation(s)
	validoxylamine A 7'-phosphate(1−) (CHEBI:111504) is a organophosphate oxoanion (CHEBI:58945)
	validoxylamine A 7'-phosphate(1−) (CHEBI:111504) is conjugate base of validoxylamine A 7'-phosphate (CHEBI:131938)
Incoming Relation(s)
	validoxylamine A 7'-phosphate (CHEBI:131938) is conjugate acid of validoxylamine A 7'-phosphate(1−) (CHEBI:111504)

IUPAC Name
[(1R,2R,3S,4S,5S)-2,3,4-trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]azaniumyl}cyclohexyl]methyl phosphate

UniProt Name	Source
validoxylamine A 7'-phosphate	UniProt

Manual Xrefs	Databases
CPD-18789	MetaCyc

Citations