Phosdiecin A (CHEBI:227912)

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CHEBI:227912 - Phosdiecin A

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ChEBI ID	CHEBI:227912
ChEBI Name	Phosdiecin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H33O8P
Net Charge	0
Average Mass	444.461
Monoisotopic Mass	444.19130
SMILES	CC(C)CC/C=C\C=C/[C@H](O)[C@H](C)[C@H](C/C=C/[C@@H]1OC(=O)C=C[C@@H]1O)OP(=O)(O)O
InChI	InChI=1S/C21H33O8P/c1-15(2)9-6-4-5-7-10-17(22)16(3)19(29-30(25,26)27)11-8-12-20-18(23)13-14-21(24)28-20/h4-5,7-8,10,12-20,22-23H,6,9,11H2,1-3H3,(H2,25,26,27)/b5-4-,10-7-,12-8+/t16-,17-,18-,19-,20-/m0/s1
InChIKey	SJLWNGYDFORHDE-RJBQZMECSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1002/hlca.201500038)

ChEBI Ontology

Outgoing Relation(s)
	Phosdiecin A (CHEBI:227912) is a pyranone (CHEBI:37963)

IUPAC Name
[(1E,4S,5S,6S,7Z,9Z)-6-hydroxy-1-[(2S,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-5,13-dimethyltetradeca-1,7,9-trien-4-yl] dihydrogen phosphate

Manual Xrefs	Databases
58196739	ChemSpider